A0A087YG28_POEFO Loading...

RNA binding motif protein 5

AlphaFold DB , UniProt , Accession A0A087YG28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 899 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R32.4Very low31.6Very low292 Ų292162.5 Ų162.5100%1.10282%0.817SS**  083.60-171.3-174.8-160-176.96.9108
2T35.4Very low31.2Very low120 Ų120165.7 Ų165.774%0.73683%0.827SS**  cis-146.6153.51.749.10000107
3E35.3Very low31.1Very low132 Ų132161.5 Ų161.562%0.61782%0.824SS**  57.2141.952.7-72.1-176.2-99.100112.8
4R35.3Very low30.9Very low214 Ų214165.3 Ų165.381%0.80882%0.823SS**  cis-153177.93.4-114.4176.7-139.2-177.87.6106.7
5S35Very low30.7Very low115 Ų115163 Ų16380%0.80482%0.815SS**  cis-166.8174.4-5.737.60000106.3
6G30.6Very low30.5Very low69 Ų69162.4 Ų162.471%0.71182%0.815SS**  cis-158.6178.75.900000109
7R31.5Very low31Very low235 Ų235159.6 Ų159.689%0.88781%0.811SS**  cis77.691.934.3-161.3-173.6-150-114.84.1115
8Y29.3Very low30.9Very low234 Ų234157.1 Ų157.192%0.91880%0.8SS**  -146159125.3-109.3-74.2000109.9
9G27.1Very low30.7Very low66 Ų66161.5 Ų161.568%0.6881%0.806SS**  trans-171158174.700000109.2
10S26.7Very low30.5Very low120 Ų120163.3 Ų163.384%0.83980%0.803SS**  trans-150.3118178.253.30000109.2
11E28.6Very low30.3Very low190 Ų190161.9 Ų161.989%0.88880%0.798SS**  trans-74150.4167.4-61.2176.4116.800109.9
12Q27.2Very low30.1Very low201 Ų201159.1 Ų159.194%0.93979%0.788SS**  trans-145.6118.1143.5-113.1165.733.100108.3
13S29.3Very low29.6Very low112 Ų112164 Ų16478%0.78379%0.793SS**  trans-98.9146.5169.8-179.40000108.6
14R28.3Very low29.5Very low214 Ų214165.6 Ų165.681%0.80881%0.806SS**  trans-177136.8146-100.9-179.1-170.5173.62.1110.2
15D27.9Very low29.1Very low131 Ų131163.6 Ų163.670%0.70181%0.806SS**  trans46.8139135.2-33.1-27.4000118.9
16D27.5Very low28.7Very low153 Ų153164.1 Ų164.182%0.81880%0.8SS**  cis-157.515114.8-144.6-19.3000110.4
17P39.2Very low28.5Very low115 Ų115171.2 Ų171.275%0.74781%0.805SS**  trans-122.4108.8178.236.4-20.3000114.3
18D29.4Very low28.4Very low115 Ų115167 Ų16762%0.61580%0.8SS**  trans-151.7139.2155.2-143.6-17.3000113.7R20D18-R20 PolarHBondContact OD1-N 2.92Å
19W26.5Very low28.3Very low240 Ų240164.9 Ų164.991%0.90980%0.798SS**  -166.698.3110.7-97.6109.7000109.2
20R27.2Very low28.2Very low198 Ų198168.1 Ų168.175%0.74780%0.8SS**  trans-70.4164.4166.1-71.7-173.9171.4-139.63112.8D18D18-R20 PolarHBondContact OD1-N 2.92Å
21D27Very low28.3Very low133 Ų133168 Ų16871%0.71180%0.799SS**  trans79.4151.3144.3-86.8-58.5000120.2
22R26.8Very low28.4Very low235 Ų235169.7 Ų169.789%0.88780%0.797SS**  trans73.8119.6178.3-46.7177.8-167-170.72.6112.8
23R26.6Very low28.3Very low222 Ų222170.4 Ų170.484%0.83879%0.791SS**  cis-155.6106.623.2-169.6-175.4-51.7-165.83.6113.2
24D32.4Very low28.1Very low165 Ų165175.3 Ų175.388%0.88279%0.793SS**  trans-86114.2147.3-84.4-47.3000108.3
25Q26.3Very low28Very low172 Ų172169.8 Ų169.880%0.80479%0.787SS**  trans-176156.1145.8-111.6173.3-12.500112
26D27.6Very low27.8Very low127 Ų127172 Ų17268%0.67979%0.793SS**  trans65.8122.2177.9-75.311.5000116.4
27R26.2Very low27.7Very low217 Ų217171.3 Ų171.382%0.81979%0.785SS**  cis-1531394.1-109.3171.1-156.6-172.70.8112.7
28D29.5Very low27.2Very low148 Ų148175.2 Ų175.279%0.79179%0.785SS**  trans-65.5133.4150.8-75.6-67.3000110.3
29H26.3Very low27.1Very low188 Ų188180.3 Ų180.387%0.8780%0.796SS**  trans175107.5134.4-100.659000110.8
30N26.6Very low27.2Very low135 Ų135174 Ų17472%0.72278%0.78SS**  160.884.1112.6-174.218.9000112.8R32N30-R32 PolarHBondContact O-N 3.21Å; N30-R32 PolarHBondContact OD1-N 3.01Å
31S28.3Very low27.3Very low117 Ų117173.7 Ų173.782%0.81878%0.778SS**  trans-81.696.2157.1-68.40000109.6
32R29.5Very low27.4Very low226 Ų226176.7 Ų176.785%0.85378%0.781SS**  trans173.489.2156-95.4150.1-170.1-158.34.5114N30N30-R32 PolarHBondContact O-N 3.21Å; N30-R32 PolarHBondContact OD1-N 3.01Å
33R26.6Very low27.7Very low215 Ų215172.7 Ų172.781%0.81178%0.777SS**  trans174.5135.4146.9-113.3175.1165.3166.8-3.2108.2
34W25.1Very low27.8Very low215 Ų215165.6 Ų165.681%0.81477%0.774SS**  cis-125.7156.57.2-78.769.3000111.8
35S24.6Very low27.8Very low99 Ų99165.1 Ų165.169%0.69277%0.771SS**  trans-83178.8156.7-61.60000110.6
36E25Very low28Very low176 Ų176167.6 Ų167.682%0.82277%0.773SS**  trans-22.8134.6160.2-57151.9108.200116.1
37E25.5Very low28.1Very low140 Ų140172.8 Ų172.865%0.65478%0.783SS**  -176.5150.4111.9-99.9-148.991.200112.2
38R28.8Very low28.2Very low197 Ų197165.7 Ų165.774%0.74378%0.778SS**  trans61.6121.5161.5-63.2162.5-153.4-169.112.1116.8
39R26.3Very low28.9Very low222 Ų222164.7 Ų164.784%0.83878%0.779SS**  cis71.7133.837.4-158.3-162.8-84.3-168.5-5.3113
40D29Very low29.1Very low107 Ų107166 Ų16657%0.57278%0.776SS**  trans73.7148.2170.8-67.3-57.9000116.8
41R28.9Very low29.1Very low191 Ų191165.6 Ų165.672%0.72177%0.774SS**  cis-172.3146.4-19.6-173.9-179.5-62.8-1742.5112.1
42Y30.5Very low29Very low197 Ų197165.2 Ų165.277%0.77377%0.771SS**  trans63.5141.3157.9-87.2-52.7000124.6
43D32.1Very low29.5Very low150 Ų150160 Ų16080%0.80277%0.767SS**  trans63.9150139.3-71.8-38.8000124.8
44G28.9Very low29.6Very low74 Ų74158 Ų15876%0.76377%0.767SS**  trans147.976.2149.500000118.3
45D32.2Very low29.7Very low154 Ų154155.5 Ų155.582%0.82476%0.764SS**  trans-58.6151166.3-76.5-67.4000113.7
46R30.5Very low29.8Very low224 Ų224160.9 Ų160.985%0.84577%0.769SS**  173.4120.7110-89.5151.3-166.9-153.12.3116.3
47R29.8Very low30Very low236 Ų236158.3 Ų158.389%0.89176%0.757SS**  51.3140.3128.5-53.3-177.2-176.9-144.4-0.7122.1
48G29.2Very low30.1Very low69 Ų69161.1 Ų161.171%0.71176%0.762SS**  trans-80.6-154.7151.700000112.4
49P42.6Very low30.3Very low126 Ų126161.2 Ų161.282%0.81877%0.768SS**  cis-145.8-166.132.544.4-23.9000116.2
50R31.7Very low30.5Very low215 Ų215162 Ų16281%0.81177%0.771SS**  trans24.4139.4146.3-103.5-175.3-178.6-150.77.1120.3
51D26Very low30.6Very low128 Ų128168 Ų16868%0.68479%0.785SS**  -167.4-167.958.5-109.7-43.7000113.3
52S27.4Very low30.5Very low108 Ų108166 Ų16676%0.75579%0.789SS**  trans-137.8156.9175.4-63.40000110.7
53P39.7Very low30.4Very low116 Ų116161.5 Ų161.575%0.75379%0.786SS**  -156.3172.682.340.6-19.4000118.9
54E28.7Very low30.2Very low174 Ų174161.5 Ų161.581%0.81379%0.786SS**  trans28.5132.9149.5-62.5-169.6105.600123.9
55Q26.3Very low30.3Very low163 Ų163169.4 Ų169.476%0.76279%0.793SS**  -179.5148.989.4-96.3-158.616.300114.9
56R27.9Very low30.2Very low212 Ų212166.7 Ų166.780%0.879%0.786SS**  trans70.9148.9148-150.7177.1-161.4175.77.4119.6
57E27.8Very low30.3Very low122 Ų122164.2 Ų164.257%0.5778%0.784SS**  cis-170.3165.7-36.1-160.3-164.1150.600110
58R28.9Very low30.3Very low199 Ų199160.3 Ų160.375%0.75178%0.781SS**  trans81.7105.5158.3-54.1-167.1174.6154.213.4121.8
59K33Very low30.4Very low198 Ų198160.1 Ų160.186%0.86178%0.779SS**  trans-69.6152.6155.3-57.6164.7175170.70112.7
60R28.6Very low30Very low240 Ų240164.4 Ų164.491%0.90678%0.781SS**  -150.1122.1122.7-65.9-160.1175.9170.5-0.7107
61R32.9Very low30.2Very low232 Ų232162.2 Ų162.288%0.87578%0.779SS**  57141.880.5-78.3-169.8176.3-176.2-0.2114.1
62N26.3Very low30.4Very low150 Ų150160.8 Ų160.880%0.80278%0.779SS**  cis177.4125.8-25.6-135.572.1000107.1
63S28.1Very low30.9Very low102 Ų102163 Ų16371%0.71378%0.783SS**  trans175.611915348.90000113.8
64D28.3Very low30.5Very low149 Ų149160.9 Ų160.980%0.79778%0.782SS**  57.286.7129.1-42.4-23.6000121.1
65R30.4Very low30.7Very low241 Ų241159.6 Ų159.691%0.90978%0.78SS**  -167.4141.2111.8-109.9171.2170.8154-2.3113.9
66S30.5Very low30.8Very low97 Ų97162.2 Ų162.268%0.67879%0.785SS**  trans-27128.3168.551.40000115.8
67E31.5Very low31Very low172 Ų172158.9 Ų158.980%0.80478%0.778SS**  cis66.111043.7-159.9-175.9167.600111.2
68D31.2Very low31.2Very low153 Ų153162 Ų16282%0.81879%0.793SS**  cis-152166.2-5.4-95.7-20.7000107.3
69G30.9Very low31.4Very low66 Ų66160.3 Ų160.368%0.6879%0.793SS**  cis140.570.812.200000109.9
70Y34.2Very low31.5Very low216 Ų216157 Ų15785%0.84779%0.785SS**  trans-89.4127.5-176.2-96.5-77.8000112.3
71H35.9Very low31.8Very low169 Ų169156.3 Ų156.378%0.78278%0.784SS**  trans64.6164.7175-53.774.3000113.4
72S31Very low32.1Very low97 Ų97156.9 Ų156.968%0.67879%0.786SS**  cis-141.6-1797.6-137.90000112
73D36Very low32.6Very low156 Ų156156.1 Ų156.183%0.83477%0.772SS**  trans-34.7147.3178.8-43.6-88.3000118.6
74G31.7Very low32.8Very low71 Ų71158.9 Ų158.973%0.73277%0.774SS**  trans169.8120166.600000112.8
75D32.5Very low33.2Very low147 Ų147157.4 Ų157.479%0.78677%0.772SS**  trans25126.4166-64.1-30.4000121
76Y29.1Very low33.7Very low218 Ų218149.3 Ų149.386%0.85576%0.764SS**  -160.2100.4111.6-98.9-62.4000112.1
77Q31.4Very low34.5Very low142 Ų142148.8 Ų148.866%0.66475%0.753SS**  trans5493150-67.7174.3-12.800118.5Q79Q77-Q79 PolarHBondContact O-N 2.93Å
78E33.5Very low35.8Very low187 Ų187143.1 Ų143.187%0.87473%0.728SS**  trans-25.9111.7133.8-174.6171-123.500113
79Q32.6Very low37.8Very low164 Ų164143.4 Ų143.477%0.76672%0.718SS**  trans-126.320.9171.8-71.2-166.80.600112.2Q77Q77-Q79 PolarHBondContact O-N 2.93Å
80D35.8Very low40.4Very low129 Ų129145 Ų14569%0.6971%0.706SS**SBendtrans-71.3137.7168.5-77-40.6000109.9R82D80-R82 PolarHBondContact O-N 3.41Å
81Y34.5Very low42.8Very low224 Ų224135.8 Ų135.888%0.87867%0.673SS**SBendtrans76.1-5.7168.8-53.7-69.6000121.8R83Y81-R83 VanDerWaalsContact C-N 3.32Å; Y81-R83 PolarHBondContact O-N 3.01Å
82R38Very low45.3Very low245 Ų245132.8 Ų132.893%0.92566%0.658SS**  trans-79.480.7167.7-159.8171.2-158158.38.8111.8D80 E84D80-R82 PolarHBondContact O-N 3.41Å; R82-E84 PolarHBondContact O-N 3.39Å
83R37.8Very low48.1Very low133 Ų133129.8 Ų129.850%0.50264%0.636SS.*  trans-66.1112.7179.3-175.1-177.5-171.6165.67.2111.8Y81 D88 H168Y81-R83 VanDerWaalsContact C-N 3.32Å; Y81-R83 PolarHBondContact O-N 3.01Å; R83-D88 IonicContact CZ-OD1 2.75Å; R83-D88 IonicContact NH2-OD1 2.67Å; R83-D88 PolarHBondContact NH2-OD1 3.37Å; R83-D88 IonicContact NH2-OD2 3.74Å; R83-H168 PolarHBondContact NH1-NE2 3.27Å
84E32.1Very low50.7Low161 Ų161122.4 Ų122.475%0.75260%0.596SS**  trans-55.8125.2158.3-84.6-64.9142.400109.7R82 G86R82-E84 PolarHBondContact O-N 3.39Å; E84-G86 PolarHBondContact O-N 3.06Å; E84-G86 VanDerWaalsContact O-N 3.11Å
85P37.5Very low53.5Low118 Ų118122 Ų12277%0.76658%0.576SS**THydrogen-bonded Turntrans-68.2-7.4-176.3-23.234.7000115.8
86G40.9Very low56.2Low70 Ų70115 Ų11572%0.72254%0.539SS*.THydrogen-bonded Turntrans-93.8-12.3-159.100000118.6E84E84-G86 PolarHBondContact O-N 3.06Å; E84-G86 VanDerWaalsContact O-N 3.11Å
87D45.7Very low58.9Low87 Ų87105.6 Ų105.647%0.46551%0.508SS..  trans-125.749.7-167.6-150.74.2000113.8R89D87-R89 PolarHBondContact O-N 3.32Å; D87-R89 WeakPolarHBondContact OD1-CG 3.34Å; D87-R89 IonicContact OD1-CZ 2.66Å; D87-R89 IonicContact OD1-NE 2.7Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 IonicContact OD1-NH2 3.71Å; D87-R89 IonicContact OD2-CZ 2.64Å; D87-R89 VanDerWaalsContact OD2-CZ 3.22Å; D87-R89 IonicContact OD2-NE 3.61Å; D87-R89 PolarHBondContact OD2-NE 3.06Å; D87-R89 IonicContact OD2-NH2 3.72Å; D87-R89 PolarHBondContact OD2-NH2 3Å
88D59.7Low61.4Low52 Ų52101.1 Ų101.128%0.27850%0.5SS..  trans-6972168.2-97.4-1.5000110.5R83 K90 K156 Y169R83-D88 IonicContact CZ-OD1 2.75Å; R83-D88 IonicContact NH2-OD1 2.67Å; R83-D88 PolarHBondContact NH2-OD1 3.37Å; R83-D88 IonicContact NH2-OD2 3.74Å; D88-K90 PolarHBondContact O-N 2.82Å; D88-K156 IonicContact OD2-NZ 3.92Å; D88-K156 PolarHBondContact OD2-NZ 3.37Å; D88-Y169 HydrophobicContact CB-CD2 4.47Å
89R74Confident63.9Low159 Ų15992.7 Ų92.760%0.646%0.461SS*.  trans-64.495.8-179-63.5-164.4-175.8-157.91.9111.5D87 S91D87-R89 PolarHBondContact O-N 3.32Å; D87-R89 WeakPolarHBondContact OD1-CG 3.34Å; D87-R89 IonicContact OD1-CZ 2.66Å; D87-R89 IonicContact OD1-NE 2.7Å; D87-R89 PolarHBondContact OD1-NE 3.45Å; D87-R89 IonicContact OD1-NH2 3.71Å; D87-R89 IonicContact OD2-CZ 2.64Å; D87-R89 VanDerWaalsContact OD2-CZ 3.22Å; D87-R89 IonicContact OD2-NE 3.61Å; D87-R89 PolarHBondContact OD2-NE 3.06Å; D87-R89 IonicContact OD2-NH2 3.72Å; D87-R89 PolarHBondContact OD2-NH2 3Å; R89-S91 PolarHBondContact O-N 2.96Å; R89-S91 PolarHBondContact O-OG 3.14Å
90K83.5Confident66.3Low101 Ų10185.6 Ų85.644%0.43943%0.429SS..  trans-46.5124.3178.2-55-157.1-178.6-165.80109.9D88 L144 T148 E152 Y169D88-K90 PolarHBondContact O-N 2.82Å; K90-L144 HydrophobicContact CB-CD2 4.05Å; K90-L144 HydrophobicContact CB-CG 4.4Å; K90-L144 VanDerWaalsContact O-CD1 3.3Å; K90-L144 WeakPolarHBondContact O-CD1 3.4Å; K90-T148 HydrophobicContact CD-CG2 3.67Å; K90-E152 IonicContact NZ-OE1 2.61Å; K90-E152 PolarHBondContact NZ-OE1 2.94Å; K90-Y169 HydrophobicContact CB-CE1 4.19Å; K90-Y169 HydrophobicContact CB-CE2 4.22Å; K90-Y169 HydrophobicContact CG-CE2 3.87Å
91S86.3Confident68.5Low22 Ų2282 Ų8215%0.15442%0.415CS..  trans-138.1144.7-169.5-69.80000110.1R89 T93 A147 Y169R89-S91 PolarHBondContact O-N 2.96Å; R89-S91 PolarHBondContact O-OG 3.14Å; S91-T93 PolarHBondContact O-N 3.47Å; S91-A147 WeakPolarHBondContact O-CB 3.22Å; S91-Y169 WeakPolarHBondContact O-CD1 3.34Å
92K88.4Confident70.7Confident105 Ų10578.5 Ų78.546%0.45741%0.406SS..SBendtrans-61.2-25.9-180-66.9-164.7176.2-161.10114.1F141 Y142 L144K92-F141 PolarHBondContact O-N 3.42Å; K92-Y142 WeakPolarHBondContact CE-O 3.32Å; K92-Y142 PolarHBondContact NZ-O 2.98Å; K92-L144 HydrophobicContact CG-CB 4.08Å
93T89.6Confident72.9Confident35 Ų3567 Ų6722%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-103.6124.7180-54.20000109.7S91 F138 V139 D140 S170S91-T93 PolarHBondContact O-N 3.47Å; T93-F138 HydrophobicContact CG2-CB 4.01Å; T93-F138 HydrophobicContact CG2-CD1 4.09Å; T93-F138 HydrophobicContact CG2-CG 4.46Å; T93-V139 CarbonylContact C-O 3.55Å; T93-V139 WeakPolarHBondContact CA-O 3.25Å; T93-D140 WeakPolarHBondContact CB-OD1 3.39Å; T93-D140 WeakPolarHBondContact CG2-OD1 3.08Å; T93-D140 PolarHBondContact OG1-OD1 2.85Å; T93-S170 WeakPolarHBondContact CB-OG 3.36Å; T93-S170 WeakPolarHBondContact CG2-OG 3.45Å; T93-S170 WeakPolarHBondContact O-CB 3.41Å; T93-S170 PolarHBondContact O-N 3.39Å; T93-S170 PolarHBondContact O-OG 3.06Å
94I89.8Confident75.2Confident0 Ų063.4 Ų63.40%036%0.355CS..EExtended strand (participates in β ladder)trans-104.2136.7174.9-67.5172.8000109.1L96 F138 V139 F141 A147 W150 M151 H168 Y169I94-L96 HydrophobicContact CG2-CD2 4.35Å; I94-F138 CarbonylContact O-C 3.57Å; I94-F138 WeakPolarHBondContact O-CA 3.24Å; I94-V139 PolarHBondContact N-O 2.93Å; I94-V139 PolarHBondContact O-N 3.3Å; I94-F141 HydrophobicContact CB-CE2 4.41Å; I94-F141 HydrophobicContact CD1-CD2 4.37Å; I94-F141 HydrophobicContact CD1-CE2 3.94Å; I94-F141 HydrophobicContact CG1-CE2 4.39Å; I94-A147 HydrophobicContact CD1-CB 3.84Å; I94-A147 VanDerWaalsContact CD1-O 3.24Å; I94-A147 WeakPolarHBondContact CD1-O 3.36Å; I94-A147 HydrophobicContact CG1-CB 4.27Å; I94-W150 HydrophobicContact CB-CZ3 4.43Å; I94-W150 HydrophobicContact CD1-CE3 3.8Å; I94-W150 HydrophobicContact CD1-CZ3 4.26Å; I94-W150 HydrophobicContact CG2-CZ3 4.05Å; I94-M151 HydrophobicContact CB-CE 4.5Å; I94-M151 HydrophobicContact CD1-CB 4.03Å; I94-M151 HydrophobicContact CD1-CE 3.67Å; I94-M151 HydrophobicContact CG1-CE 3.71Å; I94-M151 HydrophobicContact CG2-CE 4.05Å; I94-H168 CarbonylContact C-O 3.57Å; I94-H168 WeakPolarHBondContact CA-O 3.23Å; I94-Y169 HydrophobicContact CD1-CE1 4.44Å; I94-Y169 HydrophobicContact CG1-CD1 4.19Å; I94-Y169 HydrophobicContact CG1-CE1 4.42Å
95M89.8Confident77.8Confident64 Ų6457.8 Ų57.832%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-98.6125.7175.6-178.6169.258.900108.5A137 F138 H168M95-A137 WeakPolarHBondContact CA-O 3.33Å; M95-F138 HydrophobicContact CB-CD1 3.98Å; M95-F138 HydrophobicContact CB-CE1 3.87Å; M95-F138 HydrophobicContact CG-CD1 4.16Å; M95-F138 HydrophobicContact CG-CE1 3.72Å; M95-F138 HydrophobicContact CG-CZ 4.4Å; M95-F138 HydrophobicContact SD-CE1 3.71Å; M95-F138 HydrophobicContact SD-CZ 4.12Å; M95-H168 HydrophobicContact CB-CB 4.47Å; M95-H168 HydrophobicContact CE-CB 4.07Å; M95-H168 PolarHBondContact N-O 3.29Å; M95-H168 PolarHBondContact O-N 2.93Å
96L89.3Confident80.1Confident0 Ų057.9 Ų57.90%032%0.319CS..EExtended strand (participates in β ladder)trans-100.5119173.5-63.2-176.5000108.5I94 L99 I108 F136 A137 V139 W150 V165 M167I94-L96 HydrophobicContact CG2-CD2 4.35Å; L96-L99 HydrophobicContact CB-CD1 4.32Å; L96-I108 HydrophobicContact CD1-CG2 3.99Å; L96-F136 CarbonylContact O-C 3.59Å; L96-F136 WeakPolarHBondContact O-CA 3.21Å; L96-F136 VanDerWaalsContact O-CB 3.26Å; L96-F136 WeakPolarHBondContact O-CB 3.35Å; L96-A137 PolarHBondContact N-O 2.79Å; L96-A137 PolarHBondContact O-N 3.36Å; L96-V139 HydrophobicContact CD1-CG2 3.7Å; L96-V139 HydrophobicContact CG-CG2 4Å; L96-W150 HydrophobicContact CD2-CH2 4.12Å; L96-W150 HydrophobicContact CD2-CZ3 4.35Å; L96-V165 HydrophobicContact CB-CG1 3.78Å; L96-V165 HydrophobicContact CD2-CG1 4.26Å; L96-V165 HydrophobicContact CG-CG1 4.47Å; L96-M167 HydrophobicContact CD2-CB 4.39Å; L96-M167 HydrophobicContact CD2-CE 4.45Å; L96-M167 HydrophobicContact CD2-CG 3.81Å
97G86.8Confident82.3Confident20 Ų2056.7 Ų56.721%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-113.7151.3178.500000112.8V165 D166G97-V165 CarbonylContact O-C 3.59Å; G97-V165 WeakPolarHBondContact O-CA 3.22Å; G97-V165 VanDerWaalsContact O-CG1 3.25Å; G97-V165 WeakPolarHBondContact O-CG1 3.43Å; G97-D166 PolarHBondContact N-O 3.47Å; G97-D166 PolarHBondContact O-N 3.32Å
98G84.4Confident84.2Confident48 Ų4852.5 Ų52.550%0.49527%0.274SS..SBendtrans917.7179.300000115.2G135G98-G135 PolarHBondContact N-O 3.39Å
99L85.9Confident85.5Confident9 Ų954.5 Ų54.55%0.04728%0.278CS..  trans-59150.9176.6-63.3169.5000111.7L96 T103 I108 L125 G135 A137 I160 V165L96-L99 HydrophobicContact CB-CD1 4.32Å; L99-T103 HydrophobicContact CD2-CG2 4.4Å; L99-I108 HydrophobicContact CD1-CD1 3.79Å; L99-I108 HydrophobicContact CD1-CG1 4.48Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CD2-CG1 4.31Å; L99-L125 HydrophobicContact CD1-CD1 4.14Å; L99-G135 PolarHBondContact N-O 2.85Å; L99-G135 VanDerWaalsContact N-O 3.12Å; L99-G135 WeakPolarHBondContact O-CA 3.44Å; L99-A137 HydrophobicContact CD1-CB 3.59Å; L99-I160 HydrophobicContact CD2-CB 4.44Å; L99-I160 HydrophobicContact CD2-CD1 3.61Å; L99-I160 HydrophobicContact CD2-CG2 4.48Å; L99-V165 HydrophobicContact CD2-CB 4.49Å; L99-V165 HydrophobicContact CD2-CG1 3.84Å; L99-V165 HydrophobicContact CD2-CG2 3.74Å; L99-V165 HydrophobicContact CG-CG1 4.21Å
100S82.3Confident86Confident15 Ų1553.2 Ų53.211%0.10528%0.277CS..  trans-70.5153.5179.2-148.90000111.6H102 T103 S133 K163S100-H102 PolarHBondContact O-N 3.19Å; S100-T103 WeakPolarHBondContact CA-OG1 3.33Å; S100-T103 WeakPolarHBondContact CB-OG1 3.36Å; S100-T103 PolarHBondContact N-OG1 3.2Å; S100-T103 VanDerWaalsContact N-OG1 3.1Å; S100-T103 WeakPolarHBondContact O-CB 3.37Å; S100-T103 PolarHBondContact O-N 3.31Å; S100-T103 PolarHBondContact O-OG1 3.41Å; S100-S133 PolarHBondContact O-OG 3.06Å; S100-K163 PolarHBondContact OG-NZ 2.79Å
101S81.9Confident86Confident55 Ų5548.9 Ų48.939%0.38526%0.26SS..THydrogen-bonded Turntrans-57.9-26.917341.30000113.3S133S101-S133 WeakPolarHBondContact CA-OG 3.15Å; S101-S133 PolarHBondContact O-N 3.25Å
102H80.9Confident85.8Confident149 Ų14948.1 Ų48.169%0.6925%0.254SS*.THydrogen-bonded Turntrans-102-6.4-177.9-53-80000113.7S100 T104S100-H102 PolarHBondContact O-N 3.19Å; H102-T104 PolarHBondContact O-N 3.26Å
103T83.9Confident85.5Confident5 Ų547.8 Ų47.83%0.03126%0.258CS..  trans-64126.7176.9-55.90000109.3L99 S100 D107 I108 L125 I160 Q161L99-T103 HydrophobicContact CD2-CG2 4.4Å; S100-T103 WeakPolarHBondContact CA-OG1 3.33Å; S100-T103 WeakPolarHBondContact CB-OG1 3.36Å; S100-T103 PolarHBondContact N-OG1 3.2Å; S100-T103 VanDerWaalsContact N-OG1 3.1Å; S100-T103 WeakPolarHBondContact O-CB 3.37Å; S100-T103 PolarHBondContact O-N 3.31Å; S100-T103 PolarHBondContact O-OG1 3.41Å; T103-D107 HydrophobicContact CG2-CB 3.83Å; T103-I108 HydrophobicContact CG2-CD1 4.22Å; T103-I108 HydrophobicContact CG2-CG1 3.76Å; T103-L125 VanDerWaalsContact O-CD2 3.22Å; T103-L125 WeakPolarHBondContact O-CD2 3.33Å; T103-I160 HydrophobicContact CG2-CG2 3.6Å; T103-Q161 PolarHBondContact OG1-OE1 3.3Å
104T87.4Confident84.9Confident56 Ų5652.4 Ų52.434%0.34428%0.277SS..  trans-87.6179.817867.80000111.2H102 E106 D107 I108 L125H102-T104 PolarHBondContact O-N 3.26Å; T104-E106 VanDerWaalsContact CB-OE2 3.26Å; T104-E106 WeakPolarHBondContact CB-OE2 3.31Å; T104-E106 PolarHBondContact OG1-OE2 2.93Å; T104-D107 VanDerWaalsContact CB-OD2 3.31Å; T104-D107 WeakPolarHBondContact CB-OD2 3.46Å; T104-D107 WeakPolarHBondContact CG2-OD2 3.4Å; T104-D107 PolarHBondContact N-OD2 3.17Å; T104-D107 PolarHBondContact OG1-N 3.46Å; T104-D107 PolarHBondContact OG1-OD2 2.94Å; T104-I108 VanDerWaalsContact O-CD1 3.32Å; T104-I108 WeakPolarHBondContact O-CD1 3.45Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; T104-L125 VanDerWaalsContact C-CD2 3.45Å
105E86.8Confident84.1Confident44 Ų4455.1 Ų55.121%0.20629%0.291CS..Hα-helixtrans-79.3-32.3176.6-165.2175.1110.700110.5I108 R109 V123 L125E105-I108 PolarHBondContact O-N 2.94Å; E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-CZ 2.95Å; E105-R109 IonicContact OE1-NH1 3.22Å; E105-R109 PolarHBondContact OE1-NH1 2.88Å; E105-R109 IonicContact OE1-NH2 2.74Å; E105-R109 PolarHBondContact OE1-NH2 3.28Å; E105-V123 HydrophobicContact CG-CG1 4.39Å; E105-V123 WeakPolarHBondContact CG-O 3.47Å; E105-L125 HydrophobicContact CB-CB 4.32Å; E105-L125 HydrophobicContact CG-CB 4.33Å
106E85.4Confident82.7Confident119 Ų11961 Ų6156%0.55632%0.317SS*.Hα-helixtrans-64.6-43175.5-59.378.1-179.500111.2T104 I108 R109 F110T104-E106 VanDerWaalsContact CB-OE2 3.26Å; T104-E106 WeakPolarHBondContact CB-OE2 3.31Å; T104-E106 PolarHBondContact OG1-OE2 2.93Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.99Å; E106-R109 PolarHBondContact O-N 3.04Å; E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 2.78Å
107D86.3Confident81.7Confident45 Ų4562.7 Ų62.724%0.24134%0.336CS..Hα-helixtrans-58.2-38.7171.1-72.4-66.7000112.6T103 T104 A111 Q161T103-D107 HydrophobicContact CG2-CB 3.83Å; T104-D107 VanDerWaalsContact CB-OD2 3.31Å; T104-D107 WeakPolarHBondContact CB-OD2 3.46Å; T104-D107 WeakPolarHBondContact CG2-OD2 3.4Å; T104-D107 PolarHBondContact N-OD2 3.17Å; T104-D107 PolarHBondContact OG1-N 3.46Å; T104-D107 PolarHBondContact OG1-OD2 2.94Å; D107-A111 WeakPolarHBondContact O-CB 3.41Å; D107-A111 PolarHBondContact O-N 2.89Å; D107-Q161 PolarHBondContact OD1-NE2 2.94Å; D107-Q161 PolarHBondContact OD2-NE2 3.14Å
108I86.8Confident81.3Confident0 Ų063 Ų630%033%0.334CS..Hα-helixtrans-73.4-44.2-178.1-60.3162.7000109.5L96 L99 T103 T104 E105 E106 A111 I112 V123 L125 A137 I160L96-I108 HydrophobicContact CD1-CG2 3.99Å; L99-I108 HydrophobicContact CD1-CD1 3.79Å; L99-I108 HydrophobicContact CD1-CG1 4.48Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CD2-CG1 4.31Å; T103-I108 HydrophobicContact CG2-CD1 4.22Å; T103-I108 HydrophobicContact CG2-CG1 3.76Å; T104-I108 VanDerWaalsContact O-CD1 3.32Å; T104-I108 WeakPolarHBondContact O-CD1 3.45Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; E105-I108 PolarHBondContact O-N 2.94Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 2.99Å; I108-A111 PolarHBondContact O-N 3.18Å; I108-I112 HydrophobicContact CG2-CD1 3.85Å; I108-I112 WeakPolarHBondContact O-CD1 3.01Å; I108-I112 VanDerWaalsContact O-CG1 3.22Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 2.73Å; I108-V123 HydrophobicContact CB-CG1 4.03Å; I108-V123 HydrophobicContact CG2-CG1 3.57Å; I108-L125 HydrophobicContact CD1-CB 4.2Å; I108-L125 HydrophobicContact CD1-CD1 3.87Å; I108-L125 HydrophobicContact CD1-CD2 4.15Å; I108-L125 HydrophobicContact CD1-CG 4.28Å; I108-A137 HydrophobicContact CD1-CB 4.07Å; I108-I160 HydrophobicContact CB-CD1 4.44Å; I108-I160 HydrophobicContact CG1-CD1 4.15Å; I108-I160 HydrophobicContact CG2-CD1 4.28Å
109R86.5Confident81.1Confident93 Ų9367.8 Ų67.835%0.35134%0.343SS..Hα-helixtrans-58-51.2172.5-72.1-177.5178.6116.610.9111.1E105 E106 A111 I112 D113 V123E105-R109 PolarHBondContact O-N 2.87Å; E105-R109 IonicContact OE1-CZ 2.95Å; E105-R109 IonicContact OE1-NH1 3.22Å; E105-R109 PolarHBondContact OE1-NH1 2.88Å; E105-R109 IonicContact OE1-NH2 2.74Å; E105-R109 PolarHBondContact OE1-NH2 3.28Å; E106-R109 PolarHBondContact O-N 3.04Å; R109-A111 VanDerWaalsContact C-N 3.26Å; R109-A111 PolarHBondContact O-N 3.17Å; R109-I112 CarbonylContact O-C 3.22Å; R109-I112 WeakPolarHBondContact O-CA 3.31Å; R109-I112 WeakPolarHBondContact O-CB 3.46Å; R109-I112 PolarHBondContact O-N 3.35Å; R109-D113 VanDerWaalsContact O-CG 3.27Å; R109-D113 PolarHBondContact O-N 3.08Å; R109-D113 VanDerWaalsContact O-OD2 3.13Å; R109-V123 HydrophobicContact CG-CB 4.27Å; R109-V123 HydrophobicContact CG-CG1 4.4Å; R109-V123 HydrophobicContact CG-CG2 4.17Å
110F84.4Confident81Confident132 Ų13268.7 Ų68.758%0.57935%0.35SS*.Hα-helixtrans-59.9-32.2179.1-179.2-114.3000113.8E106 Q114E106-F110 WeakPolarHBondContact O-CB 3.26Å; E106-F110 PolarHBondContact O-N 2.78Å; F110-Q114 HydrophobicContact CZ-CG 4.5Å; F110-Q114 WeakPolarHBondContact O-CG 3.26Å; F110-Q114 PolarHBondContact O-N 3.43Å; F110-Q114 PolarHBondContact O-NE2 2.59Å
111A82.6Confident81.2Confident11 Ų1173.5 Ų73.59%0.09137%0.373CS..Hα-helixtrans-72.9-37.5171.800000112.8D107 I108 R109 L115 I160D107-A111 WeakPolarHBondContact O-CB 3.41Å; D107-A111 PolarHBondContact O-N 2.89Å; I108-A111 PolarHBondContact O-N 3.18Å; R109-A111 VanDerWaalsContact C-N 3.26Å; R109-A111 PolarHBondContact O-N 3.17Å; A111-L115 VanDerWaalsContact O-CD1 3.23Å; A111-L115 WeakPolarHBondContact O-CD1 3.39Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; A111-I160 HydrophobicContact CB-CD1 4.08Å; A111-I160 HydrophobicContact CB-CG1 3.44Å; A111-I160 VanDerWaalsContact CB-CG1 3.44Å
112I83.5Confident81.4Confident6 Ų673.3 Ų73.33%0.03137%0.368CS..Hα-helixtrans-67-41.9174.7-65.3165.5000110.9I108 R109 Q114 L115 P120 V123 V139 W150I108-I112 HydrophobicContact CG2-CD1 3.85Å; I108-I112 WeakPolarHBondContact O-CD1 3.01Å; I108-I112 VanDerWaalsContact O-CG1 3.22Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 2.73Å; R109-I112 CarbonylContact O-C 3.22Å; R109-I112 WeakPolarHBondContact O-CA 3.31Å; R109-I112 WeakPolarHBondContact O-CB 3.46Å; R109-I112 PolarHBondContact O-N 3.35Å; I112-Q114 PolarHBondContact O-N 3.05Å; I112-L115 WeakPolarHBondContact O-CB 3.5Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-P120 HydrophobicContact CD1-CG 4.33Å; I112-P120 HydrophobicContact CG2-CG 4.18Å; I112-V123 HydrophobicContact CD1-CG2 4.07Å; I112-V139 HydrophobicContact CD1-CG1 4.33Å; I112-V139 HydrophobicContact CD1-CG2 4.26Å; I112-W150 HydrophobicContact CD1-CZ2 4.48Å; I112-W150 HydrophobicContact CG1-CH2 4.35Å; I112-W150 HydrophobicContact CG1-CZ2 3.83Å; I112-W150 HydrophobicContact CG2-CZ2 4.36Å
113D80.9Confident81.8Confident98 Ų9866.4 Ų66.452%0.52434%0.336SS..Hα-helixtrans-69-19.5-179.2-65.4-38.9000113.3R109 L115R109-D113 VanDerWaalsContact O-CG 3.27Å; R109-D113 PolarHBondContact O-N 3.08Å; R109-D113 VanDerWaalsContact O-OD2 3.13Å; D113-L115 VanDerWaalsContact C-N 3.33Å
114Q77Confident82Confident131 Ų13171.3 Ų71.361%0.61235%0.354SS*.THydrogen-bonded Turntrans-81.8-9.1170.9-79.9171.199.100113.5F110 I112F110-Q114 HydrophobicContact CZ-CG 4.5Å; F110-Q114 WeakPolarHBondContact O-CG 3.26Å; F110-Q114 PolarHBondContact O-N 3.43Å; F110-Q114 PolarHBondContact O-NE2 2.59Å; I112-Q114 PolarHBondContact O-N 3.05Å
115L73Confident82.2Confident58 Ų5869.2 Ų69.230%0.30434%0.34SS..SBendtrans-106120.5-175.3-67.2161.7000109.9A111 I112 D113 G117 N154 L158A111-L115 VanDerWaalsContact O-CD1 3.23Å; A111-L115 WeakPolarHBondContact O-CD1 3.39Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; I112-L115 WeakPolarHBondContact O-CB 3.5Å; I112-L115 PolarHBondContact O-N 3.33Å; D113-L115 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 2.8Å; L115-N154 VanDerWaalsContact CD1-OD1 3.3Å; L115-N154 WeakPolarHBondContact CD1-OD1 3.4Å; L115-N154 WeakPolarHBondContact CD2-OD1 3.3Å; L115-L158 HydrophobicContact CD1-CD1 3.43Å; L115-L158 VanDerWaalsContact CD1-CD1 3.43Å; L115-L158 HydrophobicContact CD1-CG 3.86Å
116E60.3Low82.1Confident186 Ų18670.4 Ų70.487%0.86935%0.347SS*.SBendtrans-67.1101.3-175.7-168.1170.4-159.100111.3
117G69.9Low82.1Confident37 Ų3769.7 Ų69.738%0.38134%0.342SS..SBendtrans-175.8179.5-173.700000113.6L115L115-G117 PolarHBondContact O-N 2.8Å
118P76.4Confident82Confident26 Ų2672.8 Ų72.817%0.16935%0.353CS..PPolyproline II helixtrans-69.5139.9177.529.8-33.7000110.8F141 D146 W150P118-F141 WeakPolarHBondContact O-CE1 3.22Å; P118-D146 HydrophobicContact CB-CB 3.87Å; P118-D146 HydrophobicContact CG-CB 3.77Å; P118-D146 WeakPolarHBondContact CG-O 3.19Å; P118-W150 HydrophobicContact CG-CB 4.15Å
119Q80.4Confident81.6Confident148 Ų14885.5 Ų85.569%0.69240%0.401SS*.PPolyproline II helixtrans-76.7145.3178.5-72.4-176.2-27.500112.1
120P85.4Confident81.3Confident29 Ų2986 Ų8619%0.18842%0.415CS..PPolyproline II helixtrans-82.4154.7174.934.8-36.5000112.6I112 V123 V139 F141I112-P120 HydrophobicContact CD1-CG 4.33Å; I112-P120 HydrophobicContact CG2-CG 4.18Å; P120-V123 HydrophobicContact CB-CG2 4.29Å; P120-V123 HydrophobicContact CG-CG2 3.68Å; P120-V139 HydrophobicContact CB-CG1 3.34Å; P120-V139 HydrophobicContact CG-CG1 3.87Å; P120-F141 HydrophobicContact CB-CD1 4.19Å; P120-F141 HydrophobicContact CB-CE1 3.89Å; P120-F141 HydrophobicContact CB-CZ 4.12Å
121I86.3Confident80.8Confident116 Ų11681.9 Ų81.960%0.59541%0.41SS*.SBendtrans-76.7-46.3175.5-49.7164000111D140 Y142I121-D140 WeakPolarHBondContact CB-O 3.36Å; I121-D140 PolarHBondContact N-O 3.12Å; I121-Y142 HydrophobicContact CD1-CD2 3.92Å; I121-Y142 HydrophobicContact CD1-CG 4.42Å
122D84.8Confident80.6Confident51 Ų5185.3 Ų85.327%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-135.8143.2-177.7-172.118000110.3R124 V139 D140D122-R124 IonicContact OD2-CZ 2.93Å; D122-R124 IonicContact OD2-NE 3.38Å; D122-R124 PolarHBondContact OD2-NE 3.17Å; D122-R124 IonicContact OD2-NH2 2.92Å; D122-R124 PolarHBondContact OD2-NH2 3.27Å; D122-V139 WeakPolarHBondContact O-CA 3.26Å; D122-D140 HydrophobicContact CB-CB 4.25Å; D122-D140 PolarHBondContact O-N 2.92Å
123V89.3Confident80.7Confident3 Ų385.4 Ų85.42%0.01843%0.427CS..EExtended strand (participates in β ladder)trans-129.390.2179.9178.20000106.8E105 I108 R109 I112 P120 L125 F138 V139E105-V123 HydrophobicContact CG-CG1 4.39Å; E105-V123 WeakPolarHBondContact CG-O 3.47Å; I108-V123 HydrophobicContact CB-CG1 4.03Å; I108-V123 HydrophobicContact CG2-CG1 3.57Å; R109-V123 HydrophobicContact CG-CB 4.27Å; R109-V123 HydrophobicContact CG-CG1 4.4Å; R109-V123 HydrophobicContact CG-CG2 4.17Å; I112-V123 HydrophobicContact CD1-CG2 4.07Å; P120-V123 HydrophobicContact CB-CG2 4.29Å; P120-V123 HydrophobicContact CG-CG2 3.68Å; V123-L125 PolarHBondContact O-N 2.74Å; V123-F138 CarbonylContact C-O 3.55Å; V123-V139 HydrophobicContact CG2-CG1 4.46Å
124R89.6Confident80.8Confident109 Ų10987.2 Ų87.241%0.41143%0.426SS..EExtended strand (participates in β ladder)trans-98.191.4-167.2-160.9178.1-54.7125.66.9111.2D122 M126 A137 F138 D140D122-R124 IonicContact OD2-CZ 2.93Å; D122-R124 IonicContact OD2-NE 3.38Å; D122-R124 PolarHBondContact OD2-NE 3.17Å; D122-R124 IonicContact OD2-NH2 2.92Å; D122-R124 PolarHBondContact OD2-NH2 3.27Å; R124-M126 PolarHBondContact O-N 3.47Å; R124-A137 WeakPolarHBondContact O-CA 3.02Å; R124-F138 PolarHBondContact N-O 2.8Å; R124-F138 PolarHBondContact O-N 2.84Å; R124-D140 IonicContact CZ-OD2 3.21Å; R124-D140 IonicContact NH1-OD2 3.06Å; R124-D140 IonicContact NH2-OD2 3.01Å; R124-D140 PolarHBondContact NH2-OD2 2.81Å
125L89.9Confident81.1Confident11 Ų1181.9 Ų81.96%0.05841%0.407CS..EExtended strand (participates in β ladder)trans-74116176.617856.4000111.4L99 T103 T104 E105 I108 V123 K127 A137L99-L125 HydrophobicContact CD1-CD1 4.14Å; T103-L125 VanDerWaalsContact O-CD2 3.22Å; T103-L125 WeakPolarHBondContact O-CD2 3.33Å; T104-L125 VanDerWaalsContact C-CD2 3.45Å; E105-L125 HydrophobicContact CB-CB 4.32Å; E105-L125 HydrophobicContact CG-CB 4.33Å; I108-L125 HydrophobicContact CD1-CB 4.2Å; I108-L125 HydrophobicContact CD1-CD1 3.87Å; I108-L125 HydrophobicContact CD1-CD2 4.15Å; I108-L125 HydrophobicContact CD1-CG 4.28Å; V123-L125 PolarHBondContact O-N 2.74Å; L125-K127 HydrophobicContact CG-CG 4.28Å; L125-K127 PolarHBondContact O-N 3.1Å; L125-A137 HydrophobicContact CD1-CB 4.15Å
126M85.4Confident81.9Confident70 Ų7081.9 Ų81.935%0.34541%0.405SS..EExtended strand (participates in β ladder)trans-80110.7-177.2-66.8-72.7-76.800110.6R124 R134 F136 F138R124-M126 PolarHBondContact O-N 3.47Å; M126-R134 HydrophobicContact CB-CB 4.45Å; M126-R134 WeakPolarHBondContact O-CB 3.22Å; M126-R134 VanDerWaalsContact O-CG 3.26Å; M126-R134 WeakPolarHBondContact O-CG 3.34Å; M126-R134 PolarHBondContact O-N 2.99Å; M126-F136 HydrophobicContact CB-CD2 4.07Å; M126-F136 HydrophobicContact CB-CE2 3.77Å; M126-F136 HydrophobicContact CB-CZ 4.19Å; M126-F136 HydrophobicContact CE-CE2 4.38Å; M126-F136 HydrophobicContact CG-CD2 4.01Å; M126-F136 HydrophobicContact CG-CE2 3.67Å; M126-F136 HydrophobicContact CG-CZ 4.47Å; M126-F136 PolarHBondContact N-O 3.19Å; M126-F138 HydrophobicContact CG-CD2 4.01Å; M126-F138 HydrophobicContact CG-CE2 3.92Å; M126-F138 HydrophobicContact SD-CE2 4.42Å
127K85.6Confident83.3Confident103 Ų10373 Ų7345%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-101156-178.4-67.3166.5-176.9163.90112L125 G131 I132L125-K127 HydrophobicContact CG-CG 4.28Å; L125-K127 PolarHBondContact O-N 3.1Å; K127-G131 WeakPolarHBondContact CB-O 3.42Å; K127-G131 WeakPolarHBondContact CG-O 3.37Å; K127-I132 CarbonylContact C-O 3.34Å
128K84.9Confident84.4Confident110 Ų11073.3 Ų73.348%0.47835%0.354SS..  trans-80.1168.7172.1-65.4180-176.6174.30109.8T130 G131 I132 R134K128-T130 PolarHBondContact O-N 2.98Å; K128-T130 VanDerWaalsContact O-N 3.08Å; K128-G131 PolarHBondContact O-N 3.15Å; K128-I132 WeakPolarHBondContact CB-O 3.5Å; K128-I132 PolarHBondContact N-O 3.38Å; K128-R134 HydrophobicContact CG-CG 3.72Å
129R78.5Confident85.1Confident267 Ų26772.1 Ų72.1100%1.00835%0.346SS*.THydrogen-bonded Turntrans-57.8-20.1170.4-80.1-174.7173.2176.9-3.8113.4G131R129-G131 VanDerWaalsContact C-N 3.33Å
130T78.5Confident85.6Confident103 Ų10366.4 Ų66.463%0.63232%0.321SS*.THydrogen-bonded Turntrans-88.110.2174.854.10000113.7K128 I132K128-T130 PolarHBondContact O-N 2.98Å; K128-T130 VanDerWaalsContact O-N 3.08Å; T130-I132 PolarHBondContact O-N 2.92Å
131G75Confident85.8Confident47 Ų4765.3 Ų65.349%0.48531%0.313SS..SBendtrans77.4-29.3-177.800000115.2K127 K128 R129K127-G131 WeakPolarHBondContact CB-O 3.42Å; K127-G131 WeakPolarHBondContact CG-O 3.37Å; K128-G131 PolarHBondContact O-N 3.15Å; R129-G131 VanDerWaalsContact C-N 3.33Å
132I78.6Confident85.8Confident82 Ų8267.2 Ų67.242%0.42131%0.313SS..  trans-55.4141177.8-52.2173.1000110.9K127 K128 T130K127-I132 CarbonylContact C-O 3.34Å; K128-I132 WeakPolarHBondContact CB-O 3.5Å; K128-I132 PolarHBondContact N-O 3.38Å; T130-I132 PolarHBondContact O-N 2.92Å
133S86.1Confident85.9Confident8 Ų869 Ų696%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-60155.6177.1103.80000112.2S100 S101 G135S100-S133 PolarHBondContact O-OG 3.06Å; S101-S133 WeakPolarHBondContact CA-OG 3.15Å; S101-S133 PolarHBondContact O-N 3.25Å; S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact OG-N 2.88Å; S133-G135 VanDerWaalsContact OG-N 3.17Å
134R81.5Confident85.8Confident136 Ų13671.9 Ų71.951%0.51334%0.335SS..EExtended strand (participates in β ladder)trans-91.15.2172.4-65.1-177.766100.38.8113.3M126 K128 F136M126-R134 HydrophobicContact CB-CB 4.45Å; M126-R134 WeakPolarHBondContact O-CB 3.22Å; M126-R134 VanDerWaalsContact O-CG 3.26Å; M126-R134 WeakPolarHBondContact O-CG 3.34Å; M126-R134 PolarHBondContact O-N 2.99Å; K128-R134 HydrophobicContact CG-CG 3.72Å; R134-F136 VanDerWaalsContact C-N 3.28Å; R134-F136 HydrophobicContact CB-CD1 3.89Å; R134-F136 HydrophobicContact CB-CE1 3.61Å; R134-F136 HydrophobicContact CB-CZ 4.27Å; R134-F136 WeakPolarHBondContact O-CD1 3.32Å
135G84.1Confident85.7Confident20 Ų2072.6 Ų72.621%0.20634%0.343CS..EExtended strand (participates in β ladder)trans74.312.4-174.200000114.9G98 L99 S133G98-G135 PolarHBondContact N-O 3.39Å; L99-G135 PolarHBondContact N-O 2.85Å; L99-G135 VanDerWaalsContact N-O 3.12Å; L99-G135 WeakPolarHBondContact O-CA 3.44Å; S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact OG-N 2.88Å; S133-G135 VanDerWaalsContact OG-N 3.17Å
136F89.6Confident85.7Confident57 Ų5773.7 Ų73.725%0.2535%0.349CS..EExtended strand (participates in β ladder)trans-147.8153.4172.965.3-88.8000113.5L96 M126 R134 F138L96-F136 CarbonylContact O-C 3.59Å; L96-F136 WeakPolarHBondContact O-CA 3.21Å; L96-F136 VanDerWaalsContact O-CB 3.26Å; L96-F136 WeakPolarHBondContact O-CB 3.35Å; M126-F136 HydrophobicContact CB-CD2 4.07Å; M126-F136 HydrophobicContact CB-CE2 3.77Å; M126-F136 HydrophobicContact CB-CZ 4.19Å; M126-F136 HydrophobicContact CE-CE2 4.38Å; M126-F136 HydrophobicContact CG-CD2 4.01Å; M126-F136 HydrophobicContact CG-CE2 3.67Å; M126-F136 HydrophobicContact CG-CZ 4.47Å; M126-F136 PolarHBondContact N-O 3.19Å; R134-F136 VanDerWaalsContact C-N 3.28Å; R134-F136 HydrophobicContact CB-CD1 3.89Å; R134-F136 HydrophobicContact CB-CE1 3.61Å; R134-F136 HydrophobicContact CB-CZ 4.27Å; R134-F136 WeakPolarHBondContact O-CD1 3.32Å; F136-F138 HydrophobicContact CD2-CE2 4.06Å; F136-F138 HydrophobicContact CD2-CZ 4.23Å; F136-F138 AromaticContact CE2-CE2 3.91Å; F136-F138 HydrophobicContact CE2-CE2 3.91Å; F136-F138 HydrophobicContact CE2-CZ 4.18Å
137A90.1Very high85.8Confident0 Ų070.4 Ų70.40%033%0.333CS..EExtended strand (participates in β ladder)trans-136.8164.6176.400000110.9M95 L96 L99 I108 R124 L125M95-A137 WeakPolarHBondContact CA-O 3.33Å; L96-A137 PolarHBondContact N-O 2.79Å; L96-A137 PolarHBondContact O-N 3.36Å; L99-A137 HydrophobicContact CD1-CB 3.59Å; I108-A137 HydrophobicContact CD1-CB 4.07Å; R124-A137 WeakPolarHBondContact O-CA 3.02Å; L125-A137 HydrophobicContact CD1-CB 4.15Å
138F92Very high85.9Confident44 Ų4466.2 Ų66.219%0.19332%0.316CS..EExtended strand (participates in β ladder)trans-117.6140.9170.1-62.3-77.5000110.2T93 I94 M95 V123 R124 M126 F136T93-F138 HydrophobicContact CG2-CB 4.01Å; T93-F138 HydrophobicContact CG2-CD1 4.09Å; T93-F138 HydrophobicContact CG2-CG 4.46Å; I94-F138 CarbonylContact O-C 3.57Å; I94-F138 WeakPolarHBondContact O-CA 3.24Å; M95-F138 HydrophobicContact CB-CD1 3.98Å; M95-F138 HydrophobicContact CB-CE1 3.87Å; M95-F138 HydrophobicContact CG-CD1 4.16Å; M95-F138 HydrophobicContact CG-CE1 3.72Å; M95-F138 HydrophobicContact CG-CZ 4.4Å; M95-F138 HydrophobicContact SD-CE1 3.71Å; M95-F138 HydrophobicContact SD-CZ 4.12Å; V123-F138 CarbonylContact C-O 3.55Å; R124-F138 PolarHBondContact N-O 2.8Å; R124-F138 PolarHBondContact O-N 2.84Å; M126-F138 HydrophobicContact CG-CD2 4.01Å; M126-F138 HydrophobicContact CG-CE2 3.92Å; M126-F138 HydrophobicContact SD-CE2 4.42Å; F136-F138 HydrophobicContact CD2-CE2 4.06Å; F136-F138 HydrophobicContact CD2-CZ 4.23Å; F136-F138 AromaticContact CE2-CE2 3.91Å; F136-F138 HydrophobicContact CE2-CE2 3.91Å; F136-F138 HydrophobicContact CE2-CZ 4.18Å
139V91.2Very high86Confident0 Ų068.5 Ų68.50%032%0.321CS..EExtended strand (participates in β ladder)trans-124.1111.2-178.6-176.70000107.5T93 I94 L96 I112 P120 D122 V123 F141T93-V139 CarbonylContact C-O 3.55Å; T93-V139 WeakPolarHBondContact CA-O 3.25Å; I94-V139 PolarHBondContact N-O 2.93Å; I94-V139 PolarHBondContact O-N 3.3Å; L96-V139 HydrophobicContact CD1-CG2 3.7Å; L96-V139 HydrophobicContact CG-CG2 4Å; I112-V139 HydrophobicContact CD1-CG1 4.33Å; I112-V139 HydrophobicContact CD1-CG2 4.26Å; P120-V139 HydrophobicContact CB-CG1 3.34Å; P120-V139 HydrophobicContact CG-CG1 3.87Å; D122-V139 WeakPolarHBondContact O-CA 3.26Å; V123-V139 HydrophobicContact CG2-CG1 4.46Å; V139-F141 HydrophobicContact CB-CE2 4.13Å; V139-F141 HydrophobicContact CG1-CD2 4.25Å; V139-F141 HydrophobicContact CG1-CE1 4.47Å; V139-F141 HydrophobicContact CG1-CE2 3.44Å; V139-F141 VanDerWaalsContact CG1-CE2 3.44Å; V139-F141 HydrophobicContact CG1-CZ 3.57Å
140D91.4Very high86.3Confident29 Ų2955.8 Ų55.816%0.15527%0.273CS..EExtended strand (participates in β ladder)trans-96.9118.4-174.7-73.6-30.7000110.4T93 I121 D122 R124T93-D140 WeakPolarHBondContact CB-OD1 3.39Å; T93-D140 WeakPolarHBondContact CG2-OD1 3.08Å; T93-D140 PolarHBondContact OG1-OD1 2.85Å; I121-D140 WeakPolarHBondContact CB-O 3.36Å; I121-D140 PolarHBondContact N-O 3.12Å; D122-D140 HydrophobicContact CB-CB 4.25Å; D122-D140 PolarHBondContact O-N 2.92Å; R124-D140 IonicContact CZ-OD2 3.21Å; R124-D140 IonicContact NH1-OD2 3.06Å; R124-D140 IonicContact NH2-OD2 3.01Å; R124-D140 PolarHBondContact NH2-OD2 2.81Å
141F90Very high86.7Confident5 Ų551.1 Ų51.12%0.02224%0.244CC..  trans-102.4156.6177.8-65.3-90.2000113.2K92 I94 P118 P120 V139 D146 A147 W150K92-F141 PolarHBondContact O-N 3.42Å; I94-F141 HydrophobicContact CB-CE2 4.41Å; I94-F141 HydrophobicContact CD1-CD2 4.37Å; I94-F141 HydrophobicContact CD1-CE2 3.94Å; I94-F141 HydrophobicContact CG1-CE2 4.39Å; P118-F141 WeakPolarHBondContact O-CE1 3.22Å; P120-F141 HydrophobicContact CB-CD1 4.19Å; P120-F141 HydrophobicContact CB-CE1 3.89Å; P120-F141 HydrophobicContact CB-CZ 4.12Å; V139-F141 HydrophobicContact CB-CE2 4.13Å; V139-F141 HydrophobicContact CG1-CD2 4.25Å; V139-F141 HydrophobicContact CG1-CE1 4.47Å; V139-F141 HydrophobicContact CG1-CE2 3.44Å; V139-F141 VanDerWaalsContact CG1-CE2 3.44Å; V139-F141 HydrophobicContact CG1-CZ 3.57Å; F141-D146 HydrophobicContact CB-CB 4.19Å; F141-D146 HydrophobicContact CD1-CB 4.24Å; F141-A147 HydrophobicContact CB-CB 4.02Å; F141-A147 HydrophobicContact CD2-CB 3.68Å; F141-A147 HydrophobicContact CE2-CB 4.45Å; F141-A147 HydrophobicContact CG-CB 4Å; F141-W150 HydrophobicContact CE1-CB 4.18Å; F141-W150 HydrophobicContact CE1-CD2 4.22Å; F141-W150 HydrophobicContact CE1-CE3 4.48Å; F141-W150 HydrophobicContact CE1-CG 4.06Å; F141-W150 HydrophobicContact CE2-CD2 4.22Å; F141-W150 AromaticContact CE2-CE3 3.67Å; F141-W150 HydrophobicContact CE2-CE3 3.67Å; F141-W150 HydrophobicContact CE2-CZ3 4.12Å; F141-W150 HydrophobicContact CZ-CB 4.07Å; F141-W150 AromaticContact CZ-CD2 3.46Å; F141-W150 HydrophobicContact CZ-CD2 3.46Å; F141-W150 VanDerWaalsContact CZ-CD2 3.46Å; F141-W150 AromaticContact CZ-CE3 3.37Å; F141-W150 HydrophobicContact CZ-CE3 3.37Å; F141-W150 AromaticContact CZ-CG 3.75Å; F141-W150 HydrophobicContact CZ-CG 3.75Å; F141-W150 AromaticContact CZ-CZ3 3.97Å; F141-W150 HydrophobicContact CZ-CZ3 3.97Å
142Y85.8Confident87.1Confident156 Ų15654 Ų5461%0.61225%0.245SC*.SBendtrans-72.8-50.9-176.2-166.3-98.9000112.8K92 I121K92-Y142 WeakPolarHBondContact CE-O 3.32Å; K92-Y142 PolarHBondContact NZ-O 2.98Å; I121-Y142 HydrophobicContact CD1-CD2 3.92Å; I121-Y142 HydrophobicContact CD1-CG 4.42Å
143H87.1Confident87.2Confident90 Ų9053.7 Ų53.742%0.41725%0.247SC..SBendtrans-102.6157.5167.6-60.5-73.9000112.8Q145 D146 A147H143-Q145 HydrophobicContact CB-CB 4.3Å; H143-D146 WeakPolarHBondContact CA-OD2 3.42Å; H143-D146 VanDerWaalsContact CB-OD2 3.24Å; H143-D146 WeakPolarHBondContact CB-OD2 3.5Å; H143-D146 IonicContact CD2-OD2 3.11Å; H143-D146 IonicContact CG-OD2 2.7Å; H143-D146 PolarHBondContact N-OD2 2.72Å; H143-D146 PolarHBondContact O-N 3.25Å; H143-A147 PolarHBondContact O-N 3.37Å
144L86.8Confident86.6Confident62 Ų6254 Ų5433%0.32525%0.248SC..Hα-helixtrans-68.8-31.8172.2177.8152.5000110.3K90 K92 D146 T148K90-L144 HydrophobicContact CB-CD2 4.05Å; K90-L144 HydrophobicContact CB-CG 4.4Å; K90-L144 VanDerWaalsContact O-CD1 3.3Å; K90-L144 WeakPolarHBondContact O-CD1 3.4Å; K92-L144 HydrophobicContact CG-CB 4.08Å; L144-D146 VanDerWaalsContact C-N 3.31Å; L144-T148 VanDerWaalsContact O-CB 3.27Å; L144-T148 WeakPolarHBondContact O-CB 3.44Å; L144-T148 PolarHBondContact O-N 3.43Å; L144-T148 PolarHBondContact O-OG1 2.96Å
145Q88.1Confident86Confident125 Ų12555.2 Ų55.258%0.58426%0.26SS*.Hα-helixtrans-60.1-38.8173-69.7746.500111.7H143 T148 R149H143-Q145 HydrophobicContact CB-CB 4.3Å; Q145-T148 WeakPolarHBondContact O-CB 3.43Å; Q145-T148 PolarHBondContact O-N 3.07Å; Q145-R149 WeakPolarHBondContact O-CB 3.47Å; Q145-R149 PolarHBondContact O-N 2.74Å
146D89.5Confident85.2Confident34 Ų3458.2 Ų58.218%0.18227%0.267CS..Hα-helixtrans-68.1-50.9179.1-53-27.9000110.8P118 F141 H143 L144 T148 R149 W150P118-D146 HydrophobicContact CB-CB 3.87Å; P118-D146 HydrophobicContact CG-CB 3.77Å; P118-D146 WeakPolarHBondContact CG-O 3.19Å; F141-D146 HydrophobicContact CB-CB 4.19Å; F141-D146 HydrophobicContact CD1-CB 4.24Å; H143-D146 WeakPolarHBondContact CA-OD2 3.42Å; H143-D146 VanDerWaalsContact CB-OD2 3.24Å; H143-D146 WeakPolarHBondContact CB-OD2 3.5Å; H143-D146 IonicContact CD2-OD2 3.11Å; H143-D146 IonicContact CG-OD2 2.7Å; H143-D146 PolarHBondContact N-OD2 2.72Å; H143-D146 PolarHBondContact O-N 3.25Å; L144-D146 VanDerWaalsContact C-N 3.31Å; D146-T148 PolarHBondContact O-N 2.76Å; D146-R149 PolarHBondContact O-N 2.93Å; D146-W150 VanDerWaalsContact O-CB 3.28Å; D146-W150 WeakPolarHBondContact O-CB 3.41Å; D146-W150 PolarHBondContact O-N 2.99Å
147A88.1Confident84.1Confident0 Ų060.8 Ų60.80%028%0.283CS..Hα-helixtrans-55.6-41.4172.500000111.7S91 I94 F141 H143 M151S91-A147 WeakPolarHBondContact O-CB 3.22Å; I94-A147 HydrophobicContact CD1-CB 3.84Å; I94-A147 VanDerWaalsContact CD1-O 3.24Å; I94-A147 WeakPolarHBondContact CD1-O 3.36Å; I94-A147 HydrophobicContact CG1-CB 4.27Å; F141-A147 HydrophobicContact CB-CB 4.02Å; F141-A147 HydrophobicContact CD2-CB 3.68Å; F141-A147 HydrophobicContact CE2-CB 4.45Å; F141-A147 HydrophobicContact CG-CB 4Å; H143-A147 PolarHBondContact O-N 3.37Å; A147-M151 WeakPolarHBondContact O-CB 3.33Å; A147-M151 PolarHBondContact O-N 3.33Å
148T87.9Confident83.6Confident15 Ų1561 Ų619%0.09228%0.284CS..Hα-helixtrans-63.1-54.1178.9-61.50000111.4K90 L144 Q145 D146 W150 M151 E152 Y169K90-T148 HydrophobicContact CD-CG2 3.67Å; L144-T148 VanDerWaalsContact O-CB 3.27Å; L144-T148 WeakPolarHBondContact O-CB 3.44Å; L144-T148 PolarHBondContact O-N 3.43Å; L144-T148 PolarHBondContact O-OG1 2.96Å; Q145-T148 WeakPolarHBondContact O-CB 3.43Å; Q145-T148 PolarHBondContact O-N 3.07Å; D146-T148 PolarHBondContact O-N 2.76Å; T148-W150 VanDerWaalsContact C-N 3.32Å; T148-W150 PolarHBondContact O-N 3.21Å; T148-M151 PolarHBondContact O-N 2.8Å; T148-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T148-E152 WeakPolarHBondContact O-CB 3.44Å; T148-E152 VanDerWaalsContact O-CG 3.31Å; T148-E152 WeakPolarHBondContact O-CG 3.4Å; T148-E152 PolarHBondContact O-N 2.95Å; T148-Y169 WeakPolarHBondContact CA-OH 3.45Å
149R85.8Confident83.2Confident158 Ų15863.5 Ų63.560%0.59630%0.303SS*.Hα-helixtrans-58-45.1177-175.3-173.8-64.8172.40.9110.9Q145 D146 M151 E152 T153Q145-R149 WeakPolarHBondContact O-CB 3.47Å; Q145-R149 PolarHBondContact O-N 2.74Å; D146-R149 PolarHBondContact O-N 2.93Å; R149-M151 PolarHBondContact O-N 3.39Å; R149-E152 PolarHBondContact O-N 2.93Å; R149-T153 WeakPolarHBondContact O-CB 3.48Å; R149-T153 PolarHBondContact O-N 3.01Å; R149-T153 PolarHBondContact O-OG1 2.95Å; R149-T153 VanDerWaalsContact O-OG1 3.1Å
150W86.1Confident82.8Confident1 Ų163.8 Ų63.80%0.00430%0.304CS..Hα-helixtrans-65.3-37.5-179.4-170.677.5000112.6I94 L96 I112 P118 F141 D146 T148 N154 L158 M167I94-W150 HydrophobicContact CB-CZ3 4.43Å; I94-W150 HydrophobicContact CD1-CE3 3.8Å; I94-W150 HydrophobicContact CD1-CZ3 4.26Å; I94-W150 HydrophobicContact CG2-CZ3 4.05Å; L96-W150 HydrophobicContact CD2-CH2 4.12Å; L96-W150 HydrophobicContact CD2-CZ3 4.35Å; I112-W150 HydrophobicContact CD1-CZ2 4.48Å; I112-W150 HydrophobicContact CG1-CH2 4.35Å; I112-W150 HydrophobicContact CG1-CZ2 3.83Å; I112-W150 HydrophobicContact CG2-CZ2 4.36Å; P118-W150 HydrophobicContact CG-CB 4.15Å; F141-W150 HydrophobicContact CE1-CB 4.18Å; F141-W150 HydrophobicContact CE1-CD2 4.22Å; F141-W150 HydrophobicContact CE1-CE3 4.48Å; F141-W150 HydrophobicContact CE1-CG 4.06Å; F141-W150 HydrophobicContact CE2-CD2 4.22Å; F141-W150 AromaticContact CE2-CE3 3.67Å; F141-W150 HydrophobicContact CE2-CE3 3.67Å; F141-W150 HydrophobicContact CE2-CZ3 4.12Å; F141-W150 HydrophobicContact CZ-CB 4.07Å; F141-W150 AromaticContact CZ-CD2 3.46Å; F141-W150 HydrophobicContact CZ-CD2 3.46Å; F141-W150 VanDerWaalsContact CZ-CD2 3.46Å; F141-W150 AromaticContact CZ-CE3 3.37Å; F141-W150 HydrophobicContact CZ-CE3 3.37Å; F141-W150 AromaticContact CZ-CG 3.75Å; F141-W150 HydrophobicContact CZ-CG 3.75Å; F141-W150 AromaticContact CZ-CZ3 3.97Å; F141-W150 HydrophobicContact CZ-CZ3 3.97Å; D146-W150 VanDerWaalsContact O-CB 3.28Å; D146-W150 WeakPolarHBondContact O-CB 3.41Å; D146-W150 PolarHBondContact O-N 2.99Å; T148-W150 VanDerWaalsContact C-N 3.32Å; T148-W150 PolarHBondContact O-N 3.21Å; W150-N154 PolarHBondContact NE1-ND2 3.46Å; W150-N154 WeakPolarHBondContact O-CB 3.4Å; W150-N154 PolarHBondContact O-N 2.88Å; W150-N154 PolarHBondContact O-ND2 3.15Å; W150-L158 HydrophobicContact CH2-CD1 3.72Å; W150-L158 HydrophobicContact CZ2-CD1 3.5Å; W150-L158 VanDerWaalsContact CZ2-CD1 3.5Å; W150-M167 HydrophobicContact CD2-CE 4.28Å; W150-M167 HydrophobicContact CE3-CE 3.59Å; W150-M167 HydrophobicContact CH2-CE 3.57Å; W150-M167 HydrophobicContact CZ2-CE 4.22Å; W150-M167 HydrophobicContact CZ3-CE 3.23Å
151M86.3Confident82.1Confident4 Ų467 Ų672%0.0232%0.318CS..Hα-helixtrans-68.9-36.9173.1-171177.2-64.500112.7I94 A147 T148 R149 Q155 K156 Y169I94-M151 HydrophobicContact CB-CE 4.5Å; I94-M151 HydrophobicContact CD1-CB 4.03Å; I94-M151 HydrophobicContact CD1-CE 3.67Å; I94-M151 HydrophobicContact CG1-CE 3.71Å; I94-M151 HydrophobicContact CG2-CE 4.05Å; A147-M151 WeakPolarHBondContact O-CB 3.33Å; A147-M151 PolarHBondContact O-N 3.33Å; T148-M151 PolarHBondContact O-N 2.8Å; R149-M151 PolarHBondContact O-N 3.39Å; M151-Q155 PolarHBondContact O-N 3.31Å; M151-K156 HydrophobicContact CG-CG 3.8Å; M151-K156 PolarHBondContact O-N 3.06Å; M151-K156 HydrophobicContact SD-CG 4.05Å; M151-Y169 HydrophobicContact CE-CD1 3.51Å; M151-Y169 HydrophobicContact CE-CD2 3.83Å; M151-Y169 HydrophobicContact CE-CE1 3.52Å; M151-Y169 HydrophobicContact CE-CE2 3.82Å; M151-Y169 HydrophobicContact CE-CG 3.67Å; M151-Y169 HydrophobicContact SD-CD1 4.41Å; M151-Y169 HydrophobicContact SD-CD2 3.85Å; M151-Y169 HydrophobicContact SD-CE1 4.05Å; M151-Y169 HydrophobicContact SD-CE2 3.41Å; M151-Y169 WeakPolarHBondContact SD-CE2 3.43Å; M151-Y169 HydrophobicContact SD-CG 4.31Å; M151-Y169 VanDerWaalsContact SD-CZ 3.52Å
152E83.8Confident81.3Confident108 Ų10870.2 Ų70.251%0.50535%0.353SS..Hα-helixtrans-71.6-45.4-179.8-73.3164.2-174.200111.3K90 T148 R149 N154 Q155K90-E152 IonicContact NZ-OE1 2.61Å; K90-E152 PolarHBondContact NZ-OE1 2.94Å; T148-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T148-E152 WeakPolarHBondContact O-CB 3.44Å; T148-E152 VanDerWaalsContact O-CG 3.31Å; T148-E152 WeakPolarHBondContact O-CG 3.4Å; T148-E152 PolarHBondContact O-N 2.95Å; R149-E152 PolarHBondContact O-N 2.93Å; E152-N154 VanDerWaalsContact C-N 3.32Å; E152-N154 PolarHBondContact O-N 3.14Å; E152-Q155 PolarHBondContact O-N 2.86Å; E152-Q155 VanDerWaalsContact O-N 3.12Å
153T79.1Confident81.1Confident76 Ų7667.5 Ų67.547%0.46634%0.344SS..Hα-helixtrans-56.7-43.3172.2-61.50000112R149 Q155R149-T153 WeakPolarHBondContact O-CB 3.48Å; R149-T153 PolarHBondContact O-N 3.01Å; R149-T153 PolarHBondContact O-OG1 2.95Å; R149-T153 VanDerWaalsContact O-OG1 3.1Å; T153-Q155 VanDerWaalsContact C-N 3.28Å; T153-Q155 PolarHBondContact O-N 3.2Å
154N75Confident80.9Confident13 Ų1367.7 Ų67.77%0.0735%0.351CS..THydrogen-bonded Turntrans-82.52.6-179.6-73.4-73.6000114.2L115 W150 E152 K156 L157 M167L115-N154 VanDerWaalsContact CD1-OD1 3.3Å; L115-N154 WeakPolarHBondContact CD1-OD1 3.4Å; L115-N154 WeakPolarHBondContact CD2-OD1 3.3Å; W150-N154 PolarHBondContact NE1-ND2 3.46Å; W150-N154 WeakPolarHBondContact O-CB 3.4Å; W150-N154 PolarHBondContact O-N 2.88Å; W150-N154 PolarHBondContact O-ND2 3.15Å; E152-N154 VanDerWaalsContact C-N 3.32Å; E152-N154 PolarHBondContact O-N 3.14Å; N154-K156 PolarHBondContact O-N 3.38Å; N154-L157 CarbonylContact O-C 3.58Å; N154-L157 PolarHBondContact O-N 3.01Å; N154-L157 VanDerWaalsContact O-O 3.1Å; N154-M167 HydrophobicContact CB-CE 3.77Å; N154-M167 HydrophobicContact CB-SD 3.55Å; N154-M167 VanDerWaalsContact CB-SD 3.55Å
155Q68.1Low80.9Confident162 Ų16264.7 Ų64.776%0.75734%0.336SS*.THydrogen-bonded Turntrans49.728.6178.5-53.7-173.69.100114.4M151 E152 T153 L157M151-Q155 PolarHBondContact O-N 3.31Å; E152-Q155 PolarHBondContact O-N 2.86Å; E152-Q155 VanDerWaalsContact O-N 3.12Å; T153-Q155 VanDerWaalsContact C-N 3.28Å; T153-Q155 PolarHBondContact O-N 3.2Å; Q155-L157 PolarHBondContact O-N 2.92Å
156K66.6Low80.7Confident84 Ų8462.5 Ų62.537%0.36533%0.328SS..THydrogen-bonded Turntrans62.18.7-171.2-56.3174172.5178.50117.1D88 M151 N154 M167D88-K156 IonicContact OD2-NZ 3.92Å; D88-K156 PolarHBondContact OD2-NZ 3.37Å; M151-K156 HydrophobicContact CG-CG 3.8Å; M151-K156 PolarHBondContact O-N 3.06Å; M151-K156 HydrophobicContact SD-CG 4.05Å; N154-K156 PolarHBondContact O-N 3.38Å; K156-M167 VanDerWaalsContact C-SD 3.6Å; K156-M167 HydrophobicContact CB-CB 4.41Å; K156-M167 WeakPolarHBondContact O-CB 3.47Å; K156-M167 WeakPolarHBondContact O-CG 3.23Å; K156-M167 PolarHBondContact O-N 3.27Å
157L67.9Low80.6Confident111 Ų11161 Ų6158%0.58132%0.32SS*.EExtended strand (participates in β ladder)trans-130113.1-177.4-62.8176.5000111.2N154 Q155 V164N154-L157 CarbonylContact O-C 3.58Å; N154-L157 PolarHBondContact O-N 3.01Å; N154-L157 VanDerWaalsContact O-O 3.1Å; Q155-L157 PolarHBondContact O-N 2.92Å; L157-V164 HydrophobicContact CB-CG1 4.37Å; L157-V164 HydrophobicContact CD2-CG1 3.9Å
158L79.8Confident80.5Confident5 Ų563.2 Ų63.23%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-122.6139.6-175.8-179.9153.5000110L115 W150 I160 V165 M167L115-L158 HydrophobicContact CD1-CD1 3.43Å; L115-L158 VanDerWaalsContact CD1-CD1 3.43Å; L115-L158 HydrophobicContact CD1-CG 3.86Å; W150-L158 HydrophobicContact CH2-CD1 3.72Å; W150-L158 HydrophobicContact CZ2-CD1 3.5Å; W150-L158 VanDerWaalsContact CZ2-CD1 3.5Å; L158-I160 HydrophobicContact CD2-CD1 3.38Å; L158-I160 HydrophobicContact CD2-CG1 3.52Å; L158-V165 HydrophobicContact CD2-CB 4.35Å; L158-V165 HydrophobicContact CD2-CG2 4.49Å; L158-V165 PolarHBondContact N-O 2.72Å; L158-V165 VanDerWaalsContact N-O 3.14Å; L158-V165 WeakPolarHBondContact O-CA 3.24Å; L158-V165 WeakPolarHBondContact O-CB 3.44Å; L158-V165 PolarHBondContact O-N 3.34Å; L158-M167 HydrophobicContact CB-CG 4.22Å; L158-M167 HydrophobicContact CB-SD 3.67Å; L158-M167 HydrophobicContact CD1-SD 4.38Å
159V82.6Confident80.5Confident96 Ų9662.9 Ų62.958%0.58233%0.327SS*.EExtended strand (participates in β ladder)trans-107.8113.9-175.3-177.10000111.4K163 V164V159-K163 WeakPolarHBondContact CA-O 3.48Å; V159-V164 HydrophobicContact CG2-CG2 4.42Å
160I82.8Confident80.3Confident5 Ų556 Ų563%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-115.4127.3174-75.3159.9000109.2L99 T103 I108 A111 L158 G162 K163 V165L99-I160 HydrophobicContact CD2-CB 4.44Å; L99-I160 HydrophobicContact CD2-CD1 3.61Å; L99-I160 HydrophobicContact CD2-CG2 4.48Å; T103-I160 HydrophobicContact CG2-CG2 3.6Å; I108-I160 HydrophobicContact CB-CD1 4.44Å; I108-I160 HydrophobicContact CG1-CD1 4.15Å; I108-I160 HydrophobicContact CG2-CD1 4.28Å; A111-I160 HydrophobicContact CB-CD1 4.08Å; A111-I160 HydrophobicContact CB-CG1 3.44Å; A111-I160 VanDerWaalsContact CB-CG1 3.44Å; L158-I160 HydrophobicContact CD2-CD1 3.38Å; L158-I160 HydrophobicContact CD2-CG1 3.52Å; I160-G162 PolarHBondContact O-N 2.86Å; I160-G162 VanDerWaalsContact O-N 3.15Å; I160-K163 PolarHBondContact N-O 2.8Å; I160-K163 PolarHBondContact O-N 3Å; I160-V165 HydrophobicContact CB-CG2 4Å; I160-V165 HydrophobicContact CD1-CG2 4.2Å; I160-V165 HydrophobicContact CG1-CG2 4.4Å
161Q76.5Confident79.6Confident96 Ų9661.6 Ų61.645%0.44933%0.329SS..THydrogen-bonded Turntrans50.738.8177.4-63.2176.2-3000113.2T103 D107 K163T103-Q161 PolarHBondContact OG1-OE1 3.3Å; D107-Q161 PolarHBondContact OD1-NE2 2.94Å; D107-Q161 PolarHBondContact OD2-NE2 3.14Å; Q161-K163 VanDerWaalsContact C-N 3.27Å; Q161-K163 PolarHBondContact O-N 2.91Å
162G74.3Confident78.3Confident73 Ų7366.5 Ų66.575%0.75336%0.361SS*.THydrogen-bonded Turntrans74.56.2-178.800000115.6I160I160-G162 PolarHBondContact O-N 2.86Å; I160-G162 VanDerWaalsContact O-N 3.15Å
163K80.6Confident77Confident100 Ų10072.5 Ų72.544%0.43538%0.38SS..EExtended strand (participates in β ladder)trans-105.9136.6173.1-67.6-177.31771790110.7S100 V159 I160 Q161S100-K163 PolarHBondContact OG-NZ 2.79Å; V159-K163 WeakPolarHBondContact CA-O 3.48Å; I160-K163 PolarHBondContact N-O 2.8Å; I160-K163 PolarHBondContact O-N 3Å; Q161-K163 VanDerWaalsContact C-N 3.27Å; Q161-K163 PolarHBondContact O-N 2.91Å
164V83.5Confident75.4Confident93 Ų9374.1 Ų74.156%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-73128.5170.1-173.70000108.8L157 V159L157-V164 HydrophobicContact CB-CG1 4.37Å; L157-V164 HydrophobicContact CD2-CG1 3.9Å; V159-V164 HydrophobicContact CG2-CG2 4.42Å
165V86.7Confident74Confident0 Ų081.8 Ų81.80%042%0.418CS..EExtended strand (participates in β ladder)trans-110.7126.6-178.5-176.80000107.7L96 G97 L99 L158 I160L96-V165 HydrophobicContact CB-CG1 3.78Å; L96-V165 HydrophobicContact CD2-CG1 4.26Å; L96-V165 HydrophobicContact CG-CG1 4.47Å; G97-V165 CarbonylContact O-C 3.59Å; G97-V165 WeakPolarHBondContact O-CA 3.22Å; G97-V165 VanDerWaalsContact O-CG1 3.25Å; G97-V165 WeakPolarHBondContact O-CG1 3.43Å; L99-V165 HydrophobicContact CD2-CB 4.49Å; L99-V165 HydrophobicContact CD2-CG1 3.84Å; L99-V165 HydrophobicContact CD2-CG2 3.74Å; L99-V165 HydrophobicContact CG-CG1 4.21Å; L158-V165 HydrophobicContact CD2-CB 4.35Å; L158-V165 HydrophobicContact CD2-CG2 4.49Å; L158-V165 PolarHBondContact N-O 2.72Å; L158-V165 VanDerWaalsContact N-O 3.14Å; L158-V165 WeakPolarHBondContact O-CA 3.24Å; L158-V165 WeakPolarHBondContact O-CB 3.44Å; L158-V165 PolarHBondContact O-N 3.34Å; I160-V165 HydrophobicContact CB-CG2 4Å; I160-V165 HydrophobicContact CD1-CG2 4.2Å; I160-V165 HydrophobicContact CG1-CG2 4.4Å
166D83.4Confident73.1Confident79 Ų7983.5 Ų83.542%0.42242%0.419SS..EExtended strand (participates in β ladder)trans-85.4127.9-177.4175.616.7000110.2G97 H168G97-D166 PolarHBondContact N-O 3.47Å; G97-D166 PolarHBondContact O-N 3.32Å; D166-H168 IonicContact OD1-CE1 2.81Å; D166-H168 PolarHBondContact OD1-CE1 2.92Å; D166-H168 IonicContact OD1-ND1 3.62Å; D166-H168 PolarHBondContact OD1-ND1 2.64Å; D166-H168 IonicContact OD2-CE1 2.71Å; D166-H168 PolarHBondContact OD2-CE1 3.02Å; D166-H168 IonicContact OD2-ND1 2.89Å; D166-H168 PolarHBondContact OD2-ND1 2.96Å
167M87.4Confident72.4Confident2 Ų284.3 Ų84.31%0.0142%0.424CS..EExtended strand (participates in β ladder)trans-110120.6-172.3-53.1175.662.800111.8L96 W150 N154 K156 L158L96-M167 HydrophobicContact CD2-CB 4.39Å; L96-M167 HydrophobicContact CD2-CE 4.45Å; L96-M167 HydrophobicContact CD2-CG 3.81Å; W150-M167 HydrophobicContact CD2-CE 4.28Å; W150-M167 HydrophobicContact CE3-CE 3.59Å; W150-M167 HydrophobicContact CH2-CE 3.57Å; W150-M167 HydrophobicContact CZ2-CE 4.22Å; W150-M167 HydrophobicContact CZ3-CE 3.23Å; N154-M167 HydrophobicContact CB-CE 3.77Å; N154-M167 HydrophobicContact CB-SD 3.55Å; N154-M167 VanDerWaalsContact CB-SD 3.55Å; K156-M167 VanDerWaalsContact C-SD 3.6Å; K156-M167 HydrophobicContact CB-CB 4.41Å; K156-M167 WeakPolarHBondContact O-CB 3.47Å; K156-M167 WeakPolarHBondContact O-CG 3.23Å; K156-M167 PolarHBondContact O-N 3.27Å; L158-M167 HydrophobicContact CB-CG 4.22Å; L158-M167 HydrophobicContact CB-SD 3.67Å; L158-M167 HydrophobicContact CD1-SD 4.38Å
168H86.1Confident72.7Confident46 Ų4681.2 Ų81.221%0.21341%0.408CS..EExtended strand (participates in β ladder)trans-129.2143.2-175.7-84.964.5000112R83 I94 M95 D166 S170R83-H168 PolarHBondContact NH1-NE2 3.27Å; I94-H168 CarbonylContact C-O 3.57Å; I94-H168 WeakPolarHBondContact CA-O 3.23Å; M95-H168 HydrophobicContact CB-CB 4.47Å; M95-H168 HydrophobicContact CE-CB 4.07Å; M95-H168 PolarHBondContact N-O 3.29Å; M95-H168 PolarHBondContact O-N 2.93Å; D166-H168 IonicContact OD1-CE1 2.81Å; D166-H168 PolarHBondContact OD1-CE1 2.92Å; D166-H168 IonicContact OD1-ND1 3.62Å; D166-H168 PolarHBondContact OD1-ND1 2.64Å; D166-H168 IonicContact OD2-CE1 2.71Å; D166-H168 PolarHBondContact OD2-CE1 3.02Å; D166-H168 IonicContact OD2-ND1 2.89Å; D166-H168 PolarHBondContact OD2-ND1 2.96Å; H168-S170 PolarHBondContact O-N 2.63Å; H168-S170 VanDerWaalsContact O-N 3.14Å
169Y88.1Confident72.8Confident9 Ų982.4 Ų82.44%0.03541%0.412CS..EExtended strand (participates in β ladder)trans-63.8119.5165.2-72.3-62.1000108.5D88 K90 S91 I94 T148 M151 H171D88-Y169 HydrophobicContact CB-CD2 4.47Å; K90-Y169 HydrophobicContact CB-CE1 4.19Å; K90-Y169 HydrophobicContact CB-CE2 4.22Å; K90-Y169 HydrophobicContact CG-CE2 3.87Å; S91-Y169 WeakPolarHBondContact O-CD1 3.34Å; I94-Y169 HydrophobicContact CD1-CE1 4.44Å; I94-Y169 HydrophobicContact CG1-CD1 4.19Å; I94-Y169 HydrophobicContact CG1-CE1 4.42Å; T148-Y169 WeakPolarHBondContact CA-OH 3.45Å; M151-Y169 HydrophobicContact CE-CD1 3.51Å; M151-Y169 HydrophobicContact CE-CD2 3.83Å; M151-Y169 HydrophobicContact CE-CE1 3.52Å; M151-Y169 HydrophobicContact CE-CE2 3.82Å; M151-Y169 HydrophobicContact CE-CG 3.67Å; M151-Y169 HydrophobicContact SD-CD1 4.41Å; M151-Y169 HydrophobicContact SD-CD2 3.85Å; M151-Y169 HydrophobicContact SD-CE1 4.05Å; M151-Y169 HydrophobicContact SD-CE2 3.41Å; M151-Y169 WeakPolarHBondContact SD-CE2 3.43Å; M151-Y169 HydrophobicContact SD-CG 4.31Å; M151-Y169 VanDerWaalsContact SD-CZ 3.52Å; Y169-H171 PolarHBondContact O-N 3.35Å; Y169-H171 PolarHBondContact O-ND1 2.89Å
170S81.7Confident72.8Confident13 Ų1382.3 Ų82.39%0.09141%0.408CS..  trans-68.6123.4-179.590.90000108.2T93 H168 P172T93-S170 WeakPolarHBondContact CB-OG 3.36Å; T93-S170 WeakPolarHBondContact CG2-OG 3.45Å; T93-S170 WeakPolarHBondContact O-CB 3.41Å; T93-S170 PolarHBondContact O-N 3.39Å; T93-S170 PolarHBondContact O-OG 3.06Å; H168-S170 PolarHBondContact O-N 2.63Å; H168-S170 VanDerWaalsContact O-N 3.14Å; S170-P172 VanDerWaalsContact O-CD 3.31Å; S170-P172 WeakPolarHBondContact O-CD 3.35Å
171H71Confident72.8Confident119 Ų11982.1 Ų82.155%0.55141%0.407SS*.  trans-79115.7174.6-72.849.1000107.5Y169 R173Y169-H171 PolarHBondContact O-N 3.35Å; Y169-H171 PolarHBondContact O-ND1 2.89Å; H171-R173 PolarHBondContact O-N 3.23Å
172P59.8Low72.9Confident106 Ų10684.4 Ų84.469%0.68842%0.422SS*.  trans-64.8103.5-178.525.7-33.4000109S170 N174S170-P172 VanDerWaalsContact O-CD 3.31Å; S170-P172 WeakPolarHBondContact O-CD 3.35Å; P172-N174 PolarHBondContact O-N 3.46Å
173R55.9Low73Confident235 Ų23586.1 Ų86.189%0.88742%0.418SS*.  trans-54.5116.1-179.1-76.7-169.5175.8-138.9-2.7109.4H171 K175H171-R173 PolarHBondContact O-N 3.23Å; R173-K175 PolarHBondContact O-N 3.34Å
174N45.4Very low73.2Confident109 Ų10984 Ų8458%0.58342%0.415SS*.  trans-57.3115.6-177.1-109.1-21.3000109.8P172 Y176 E177P172-N174 PolarHBondContact O-N 3.46Å; N174-Y176 HydrophobicContact CB-CD2 4Å; N174-Y176 VanDerWaalsContact CG-CD2 3.47Å; N174-Y176 PolarHBondContact O-N 2.78Å; N174-Y176 VanDerWaalsContact OD1-CD2 3.25Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.48Å; N174-Y176 WeakPolarHBondContact OD1-CE2 3.2Å; N174-E177 PolarHBondContact O-N 3.22Å
175K46.5Very low72.9Confident174 Ų17482.1 Ų82.176%0.75742%0.415SS*.G310 helixtrans-64.2-10.1178.3-65.4-179.7-179.1175.30112.5R173 E177 Y187R173-K175 PolarHBondContact O-N 3.34Å; K175-E177 PolarHBondContact O-N 3.03Å; K175-Y187 PolarHBondContact O-OH 2.82Å
176Y47.6Very low72.6Confident198 Ų19884.6 Ų84.678%0.77643%0.428SS*.G310 helixtrans-70.53.4178-44.9-52000115.6N174N174-Y176 HydrophobicContact CB-CD2 4Å; N174-Y176 VanDerWaalsContact CG-CD2 3.47Å; N174-Y176 PolarHBondContact O-N 2.78Å; N174-Y176 VanDerWaalsContact OD1-CD2 3.25Å; N174-Y176 WeakPolarHBondContact OD1-CD2 3.48Å; N174-Y176 WeakPolarHBondContact OD1-CE2 3.2Å
177E52.8Low72.6Confident101 Ų10186.2 Ų86.247%0.47243%0.429SS..G310 helixtrans-79.3-25.5177.9-76.2-152.8165.300114.8N174 K175 R190N174-E177 PolarHBondContact O-N 3.22Å; K175-E177 PolarHBondContact O-N 3.03Å; E177-R190 VanDerWaalsContact O-CB 3.3Å; E177-R190 WeakPolarHBondContact O-CB 3.43Å; E177-R190 WeakPolarHBondContact O-CG 3.22Å; E177-R190 IonicContact OE1-CZ 2.75Å; E177-R190 IonicContact OE1-NH1 3.18Å; E177-R190 PolarHBondContact OE1-NH1 3.31Å; E177-R190 WeakPolarHBondContact OE2-CD 3.49Å; E177-R190 IonicContact OE2-CZ 2.7Å; E177-R190 IonicContact OE2-NE 3.72Å; E177-R190 IonicContact OE2-NH1 3.49Å; E177-R190 PolarHBondContact OE2-NH1 2.94Å
178D74.9Confident72.2Confident47 Ų4786.2 Ų86.225%0.25143%0.429SS..SBendtrans-88149.3176-71.1-18.6000110.3Y187 N188 F189 R190D178-Y187 HydrophobicContact CB-CD1 4Å; D178-Y187 HydrophobicContact CB-CE1 3.31Å; D178-Y187 HydrophobicContact CB-CE2 4.2Å; D178-Y187 VanDerWaalsContact CB-CZ 3.46Å; D178-Y187 WeakPolarHBondContact OD2-CE1 3.37Å; D178-N188 WeakPolarHBondContact CA-O 3.49Å; D178-N188 WeakPolarHBondContact CB-O 3.3Å; D178-F189 WeakPolarHBondContact OD1-CA 3.21Å; D178-R190 PolarHBondContact OD1-N 3.43Å
179W80.5Confident71.9Confident29 Ų2990 Ų9011%0.1145%0.445CS..EExtended strand (participates in β ladder)trans-123.3141.4-165.871.2-79.3000113.5C181 N188 R192 C195 K202W179-C181 HydrophobicContact CZ3-CB 4.33Å; W179-N188 VanDerWaalsContact CD1-O 3.27Å; W179-N188 HydrophobicContact CD2-CB 4.1Å; W179-N188 HydrophobicContact CG-CB 4.3Å; W179-N188 HydrophobicContact CZ2-CB 3.93Å; W179-N188 PolarHBondContact N-O 2.78Å; W179-N188 WeakPolarHBondContact O-CA 3.48Å; W179-N188 WeakPolarHBondContact O-CB 3.2Å; W179-N188 PolarHBondContact O-N 2.8Å; W179-N188 PolarHBondContact O-ND2 3.11Å; W179-N188 VanDerWaalsContact O-ND2 3.11Å; W179-R192 WeakPolarHBondContact CZ2-O 3.35Å; W179-R192 PolarHBondContact NE1-O 2.89Å; W179-C195 HydrophobicContact CH2-CB 3.9Å; W179-C195 HydrophobicContact CZ2-CB 4.36Å; W179-K202 VanDerWaalsContact CD1-CE 3.48Å; W179-K202 HydrophobicContact CD2-CB 3.99Å; W179-K202 HydrophobicContact CD2-CD 4.28Å; W179-K202 HydrophobicContact CD2-CG 3.68Å; W179-K202 HydrophobicContact CE3-CB 4.31Å; W179-K202 HydrophobicContact CE3-CG 4.19Å; W179-K202 HydrophobicContact CG-CD 4.01Å; W179-K202 HydrophobicContact CG-CG 3.83Å; W179-K202 HydrophobicContact CH2-CB 4.1Å; W179-K202 HydrophobicContact CZ2-CB 3.73Å; W179-K202 HydrophobicContact CZ2-CG 4.34Å; W179-K202 HydrophobicContact CZ3-CB 4.37Å
180L82.8Confident71.4Confident94 Ų9496 Ų9649%0.49247%0.467SS..EExtended strand (participates in β ladder)trans-84.6134.6178-68161.4000110.5N182 G185 L186 Y187L180-N182 PolarHBondContact O-N 2.89Å; L180-N182 PolarHBondContact O-OD1 3.44Å; L180-G185 WeakPolarHBondContact CD2-O 3.49Å; L180-L186 CarbonylContact C-O 3.58Å; L180-L186 WeakPolarHBondContact CA-O 3.22Å; L180-Y187 HydrophobicContact CD2-CD2 3.86Å; L180-Y187 HydrophobicContact CG-CD2 4.31Å
181C82.8Confident71.1Confident1 Ų1106.7 Ų106.71%0.00751%0.506CS..  trans-69.3111.2169.1166.70000109.5W179 T183 C184 G185 L186 N188 C195 C198W179-C181 HydrophobicContact CZ3-CB 4.33Å; C181-T183 PolarHBondContact O-N 2.75Å; C181-T183 WeakPolarHBondContact SG-CB 3.14Å; C181-T183 PolarHBondContact SG-N 3.12Å; C181-C184 PolarHBondContact O-N 3.31Å; C181-C184 PolarHBondContact SG-N 3.16Å; C181-C184 VanDerWaalsContact SG-N 3.4Å; C181-G185 WeakPolarHBondContact O-CA 3.19Å; C181-G185 PolarHBondContact O-N 3.28Å; C181-L186 PolarHBondContact N-O 3.03Å; C181-N188 PolarHBondContact N-ND2 2.82Å; C181-C195 HydrophobicContact CB-CB 3.76Å; C181-C195 VanDerWaalsContact CB-SG 3.52Å; C181-C198 HydrophobicContact CB-CB 4.45Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.33Å; C181-C198 CovalentContact SG-SG 2.05Å; C181-C198 PolarHBondContact SG-SG 2.75Å
182N78.3Confident71.3Confident145 Ų145106.8 Ų106.878%0.77550%0.501SS*.THydrogen-bonded Turntrans-54.3-28.5177.1-64.47000112.9L180L180-N182 PolarHBondContact O-N 2.89Å; L180-N182 PolarHBondContact O-OD1 3.44Å
183T77.9Confident72.3Confident109 Ų109107.5 Ų107.567%0.66950%0.499SS*.THydrogen-bonded Turntrans-78.6-21.9179.1-310000114.4C181 A200C181-T183 PolarHBondContact O-N 2.75Å; C181-T183 WeakPolarHBondContact SG-CB 3.14Å; C181-T183 PolarHBondContact SG-N 3.12Å; T183-A200 WeakPolarHBondContact OG1-CB 3.36Å
184C84.6Confident73.9Confident55 Ų55103.5 Ų103.537%0.37249%0.488SS..THydrogen-bonded Turntrans-144.22.3-174.280.50000116.5C181 L186 C198C181-C184 PolarHBondContact O-N 3.31Å; C181-C184 PolarHBondContact SG-N 3.16Å; C181-C184 VanDerWaalsContact SG-N 3.4Å; C184-L186 PolarHBondContact O-N 3.02Å; C184-C198 HydrophobicContact CB-CB 3.92Å
185G77.3Confident75.9Confident54 Ų5498.7 Ų98.756%0.55746%0.463SS*.  trans695.5177.700000116.2L180 C181L180-G185 WeakPolarHBondContact CD2-O 3.49Å; C181-G185 WeakPolarHBondContact O-CA 3.19Å; C181-G185 PolarHBondContact O-N 3.28Å
186L80.3Confident77.7Confident52 Ų5296 Ų9627%0.27245%0.451SS..  trans-87.4142.6-177.5-67.1174.1000112.9L180 C181 C184 N188 F196 R197L180-L186 CarbonylContact C-O 3.58Å; L180-L186 WeakPolarHBondContact CA-O 3.22Å; C181-L186 PolarHBondContact N-O 3.03Å; C184-L186 PolarHBondContact O-N 3.02Å; L186-N188 PolarHBondContact O-ND2 3.11Å; L186-F196 HydrophobicContact CB-CE1 4.02Å; L186-F196 HydrophobicContact CB-CZ 4.29Å; L186-F196 HydrophobicContact CD1-CE1 4.37Å; L186-F196 HydrophobicContact CD1-CE2 4.43Å; L186-F196 HydrophobicContact CD1-CZ 3.87Å; L186-R197 HydrophobicContact CD1-CB 3.84Å; L186-R197 HydrophobicContact CD1-CG 4.22Å
187Y82.6Confident79Confident113 Ų11395.9 Ų95.944%0.44345%0.449SS..EExtended strand (participates in β ladder)trans-76.5133.9-178.3-155.2-107.6000111.7K175 D178 L180 F196K175-Y187 PolarHBondContact O-OH 2.82Å; D178-Y187 HydrophobicContact CB-CD1 4Å; D178-Y187 HydrophobicContact CB-CE1 3.31Å; D178-Y187 HydrophobicContact CB-CE2 4.2Å; D178-Y187 VanDerWaalsContact CB-CZ 3.46Å; D178-Y187 WeakPolarHBondContact OD2-CE1 3.37Å; L180-Y187 HydrophobicContact CD2-CD2 3.86Å; L180-Y187 HydrophobicContact CG-CD2 4.31Å; Y187-F196 WeakPolarHBondContact O-CE1 3.21Å
188N80.4Confident80.5Confident1 Ų192.9 Ų92.91%0.00544%0.439CS..EExtended strand (participates in β ladder)trans-130.8130.9-177.7-54.9-82.7000110.6D178 W179 C181 L186 C195 F196D178-N188 WeakPolarHBondContact CA-O 3.49Å; D178-N188 WeakPolarHBondContact CB-O 3.3Å; W179-N188 VanDerWaalsContact CD1-O 3.27Å; W179-N188 HydrophobicContact CD2-CB 4.1Å; W179-N188 HydrophobicContact CG-CB 4.3Å; W179-N188 HydrophobicContact CZ2-CB 3.93Å; W179-N188 PolarHBondContact N-O 2.78Å; W179-N188 WeakPolarHBondContact O-CA 3.48Å; W179-N188 WeakPolarHBondContact O-CB 3.2Å; W179-N188 PolarHBondContact O-N 2.8Å; W179-N188 PolarHBondContact O-ND2 3.11Å; W179-N188 VanDerWaalsContact O-ND2 3.11Å; C181-N188 PolarHBondContact N-ND2 2.82Å; L186-N188 PolarHBondContact O-ND2 3.11Å; N188-C195 WeakPolarHBondContact OD1-CA 3.49Å; N188-C195 WeakPolarHBondContact OD1-CB 3.33Å; N188-C195 PolarHBondContact OD1-SG 2.8Å; N188-F196 WeakPolarHBondContact OD1-CD1 3.2Å; N188-F196 PolarHBondContact OD1-N 2.86Å; N188-F196 VanDerWaalsContact OD1-N 3.15Å
189F79.3Confident80.9Confident127 Ų12792.9 Ų92.956%0.55745%0.45SS*.  trans-54.9141176.8-61.7-63.5000112.6D178 R191 R192D178-F189 WeakPolarHBondContact OD1-CA 3.21Å; F189-R191 PolarHBondContact O-N 3.43Å; F189-R192 PolarHBondContact O-N 2.82Å
190R77.3Confident81.1Confident133 Ų13393 Ų9350%0.50246%0.458SS..THydrogen-bonded Turntrans-40.3-43-176.2-177.9-179.6175.6176.33113.9E177 D178 K202E177-R190 VanDerWaalsContact O-CB 3.3Å; E177-R190 WeakPolarHBondContact O-CB 3.43Å; E177-R190 WeakPolarHBondContact O-CG 3.22Å; E177-R190 IonicContact OE1-CZ 2.75Å; E177-R190 IonicContact OE1-NH1 3.18Å; E177-R190 PolarHBondContact OE1-NH1 3.31Å; E177-R190 WeakPolarHBondContact OE2-CD 3.49Å; E177-R190 IonicContact OE2-CZ 2.7Å; E177-R190 IonicContact OE2-NE 3.72Å; E177-R190 IonicContact OE2-NH1 3.49Å; E177-R190 PolarHBondContact OE2-NH1 2.94Å; D178-R190 PolarHBondContact OD1-N 3.43Å; R190-K202 PolarHBondContact O-NZ 2.82Å
191R74.8Confident81Confident239 Ų23992 Ų9290%0.90246%0.462SS*.THydrogen-bonded Turntrans-70.5-23.1-176.1-56.5-177.4-173.1-179.8-0.2114.4F189 L193F189-R191 PolarHBondContact O-N 3.43Å; R191-L193 PolarHBondContact O-N 3.27Å
192R75.1Confident81Confident120 Ų12094.3 Ų94.345%0.45347%0.473SS..  trans-79.9108.3-179.1-74-174.7168.4168.3-4.7109.5W179 F189 K194W179-R192 WeakPolarHBondContact CZ2-O 3.35Å; W179-R192 PolarHBondContact NE1-O 2.89Å; F189-R192 PolarHBondContact O-N 2.82Å; R192-K194 PolarHBondContact O-N 3.41Å
193L82.1Confident80.6Confident121 Ų12190.2 Ų90.263%0.63446%0.459SS*.SBendtrans-74.7-10.5175.6-63.4178.4000113.7R191 A201 K202R191-L193 PolarHBondContact O-N 3.27Å; L193-A201 CarbonylContact O-C 3.52Å; L193-A201 WeakPolarHBondContact O-CA 3.47Å; L193-K202 PolarHBondContact O-N 2.05Å
194K88.6Confident79.2Confident151 Ų15190.1 Ų90.166%0.65746%0.458SS*.BIsolated β-bridgetrans-132.6146.1173.3-66.6-178.4-176.7178.60109.3R192 G199 A200R192-K194 PolarHBondContact O-N 3.41Å; K194-G199 WeakPolarHBondContact CB-O 3.22Å; K194-A200 CarbonylContact C-O 3.55Å; K194-A200 WeakPolarHBondContact CA-O 3.35Å
195C86.9Confident77.2Confident8 Ų896.7 Ų96.75%0.05448%0.48CS..  trans-70.4142.9-179.5173.40000112.4W179 C181 N188 R197 C198 G199 A200W179-C195 HydrophobicContact CH2-CB 3.9Å; W179-C195 HydrophobicContact CZ2-CB 4.36Å; C181-C195 HydrophobicContact CB-CB 3.76Å; C181-C195 VanDerWaalsContact CB-SG 3.52Å; N188-C195 WeakPolarHBondContact OD1-CA 3.49Å; N188-C195 WeakPolarHBondContact OD1-CB 3.33Å; N188-C195 PolarHBondContact OD1-SG 2.8Å; C195-R197 PolarHBondContact O-N 3.16Å; C195-R197 VanDerWaalsContact O-N 3.16Å; C195-R197 PolarHBondContact SG-N 2.92Å; C195-C198 HydrophobicContact CB-CB 4.37Å; C195-C198 WeakPolarHBondContact CB-SG 2.99Å; C195-C198 PolarHBondContact SG-N 2.87Å; C195-C198 PolarHBondContact SG-SG 2.77Å; C195-G199 PolarHBondContact O-N 2.8Å; C195-A200 PolarHBondContact N-O 3.47Å
196F84.4Confident75.1Confident118 Ų118100.7 Ų100.752%0.51848%0.483SS..THydrogen-bonded Turntrans-66.3-16.1-177.280.4-96.4000115.3L186 Y187 N188L186-F196 HydrophobicContact CB-CE1 4.02Å; L186-F196 HydrophobicContact CB-CZ 4.29Å; L186-F196 HydrophobicContact CD1-CE1 4.37Å; L186-F196 HydrophobicContact CD1-CE2 4.43Å; L186-F196 HydrophobicContact CD1-CZ 3.87Å; Y187-F196 WeakPolarHBondContact O-CE1 3.21Å; N188-F196 WeakPolarHBondContact OD1-CD1 3.2Å; N188-F196 PolarHBondContact OD1-N 2.86Å; N188-F196 VanDerWaalsContact OD1-N 3.15Å
197R76.6Confident73Confident195 Ų195102.4 Ų102.474%0.73650%0.504SS*.THydrogen-bonded Turntrans-124.5-43.5180-169.2-174.4-177.1-174.40.5113.6L186 C195L186-R197 HydrophobicContact CD1-CB 3.84Å; L186-R197 HydrophobicContact CD1-CG 4.22Å; C195-R197 PolarHBondContact O-N 3.16Å; C195-R197 VanDerWaalsContact O-N 3.16Å; C195-R197 PolarHBondContact SG-N 2.92Å
198C84.1Confident70.9Confident39 Ų39103 Ų10326%0.26451%0.511SS..THydrogen-bonded Turntrans-86.4-9.6-176.7770000113.5C181 C184 C195 A200C181-C198 HydrophobicContact CB-CB 4.45Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.33Å; C181-C198 CovalentContact SG-SG 2.05Å; C181-C198 PolarHBondContact SG-SG 2.75Å; C184-C198 HydrophobicContact CB-CB 3.92Å; C195-C198 HydrophobicContact CB-CB 4.37Å; C195-C198 WeakPolarHBondContact CB-SG 2.99Å; C195-C198 PolarHBondContact SG-N 2.87Å; C195-C198 PolarHBondContact SG-SG 2.77Å; C198-A200 PolarHBondContact O-N 2.73Å; C198-A200 VanDerWaalsContact SG-CB 3.54Å
199G82.4Confident68.9Low46 Ų46109 Ų10947%0.47454%0.543SS..  trans67.7-22.3-176.700000115.7K194 C195K194-G199 WeakPolarHBondContact CB-O 3.22Å; C195-G199 PolarHBondContact O-N 2.8Å
200A84.3Confident67.3Low33 Ų33109.5 Ų109.527%0.27355%0.55SS..PPolyproline II helixtrans-55.6146.3-178.700000112.2T183 K194 C195 C198T183-A200 WeakPolarHBondContact OG1-CB 3.36Å; K194-A200 CarbonylContact C-O 3.55Å; K194-A200 WeakPolarHBondContact CA-O 3.35Å; C195-A200 PolarHBondContact N-O 3.47Å; C198-A200 PolarHBondContact O-N 2.73Å; C198-A200 VanDerWaalsContact SG-CB 3.54Å
201A81.5Confident65.5Low71 Ų71111.4 Ų111.459%0.58756%0.562SS**BIsolated β-bridgetrans-69.9153-178.600000112.4L193 A203L193-A201 CarbonylContact O-C 3.52Å; L193-A201 WeakPolarHBondContact O-CA 3.47Å; A201-A203 PolarHBondContact O-N 2.89Å
202K83.2Confident63.5Low51 Ų51107.1 Ų107.122%0.22255%0.55CS.*PPolyproline II helixtrans-61.8129.8165.5-174.3174.5-168.2-178.20108.8W179 R190 L193 V204W179-K202 VanDerWaalsContact CD1-CE 3.48Å; W179-K202 HydrophobicContact CD2-CB 3.99Å; W179-K202 HydrophobicContact CD2-CD 4.28Å; W179-K202 HydrophobicContact CD2-CG 3.68Å; W179-K202 HydrophobicContact CE3-CB 4.31Å; W179-K202 HydrophobicContact CE3-CG 4.19Å; W179-K202 HydrophobicContact CG-CD 4.01Å; W179-K202 HydrophobicContact CG-CG 3.83Å; W179-K202 HydrophobicContact CH2-CB 4.1Å; W179-K202 HydrophobicContact CZ2-CB 3.73Å; W179-K202 HydrophobicContact CZ2-CG 4.34Å; W179-K202 HydrophobicContact CZ3-CB 4.37Å; R190-K202 PolarHBondContact O-NZ 2.82Å; L193-K202 PolarHBondContact O-N 2.05Å; K202-V204 PolarHBondContact O-N 3.1Å
203A68.9Low62.1Low59 Ų59107.7 Ų107.749%0.48856%0.561SS.*  trans-68.4100.3175.100000110.1A201 F205A201-A203 PolarHBondContact O-N 2.89Å; A203-F205 PolarHBondContact O-N 3.37Å
204V49.8Very low60.2Low107 Ų107105 Ų10565%0.64856%0.556SS**  trans-87.3101.2178.3-177.70000109.6K202 K206K202-V204 PolarHBondContact O-N 3.1Å; V204-K206 HydrophobicContact CG1-CG 4.36Å; V204-K206 PolarHBondContact O-N 3.11Å
205F40.7Very low58Low192 Ų192104.1 Ų104.184%0.84256%0.558SS**  trans-75.699.4164.3-75-86.8000109.1A203A203-F205 PolarHBondContact O-N 3.37Å
206K33.7Very low56Low139 Ų139107.8 Ų107.860%0.60458%0.577SS**  trans-66.8132.8170.6-83.1177.7142.9-112.40110.3V204 E208V204-K206 HydrophobicContact CG1-CG 4.36Å; V204-K206 PolarHBondContact O-N 3.11Å; K206-E208 VanDerWaalsContact C-N 3.25Å; K206-E208 WeakPolarHBondContact CD-OE2 3.42Å; K206-E208 VanDerWaalsContact NZ-CD 3.3Å; K206-E208 IonicContact NZ-OE1 3.81Å; K206-E208 PolarHBondContact NZ-OE1 2.87Å; K206-E208 IonicContact NZ-OE2 3.62Å; K206-E208 PolarHBondContact NZ-OE2 2.79Å; K206-E208 PolarHBondContact O-N 2.85Å
207A37.3Very low54Low88 Ų88109.7 Ų109.773%0.72759%0.586SS**THydrogen-bonded Turntrans-82.910.3-174.300000114.8
208E38.1Very low52.3Low124 Ų124108.1 Ų108.158%0.57959%0.585SS**THydrogen-bonded Turntrans-80.6-25.8-166.3-68.6154.2174.900113.5K206 I210 K211K206-E208 VanDerWaalsContact C-N 3.25Å; K206-E208 WeakPolarHBondContact CD-OE2 3.42Å; K206-E208 VanDerWaalsContact NZ-CD 3.3Å; K206-E208 IonicContact NZ-OE1 3.81Å; K206-E208 PolarHBondContact NZ-OE1 2.87Å; K206-E208 IonicContact NZ-OE2 3.62Å; K206-E208 PolarHBondContact NZ-OE2 2.79Å; K206-E208 PolarHBondContact O-N 2.85Å; E208-I210 PolarHBondContact O-N 3.14Å; E208-K211 PolarHBondContact O-N 3.14Å
209N38.8Very low50.1Low129 Ų129114.2 Ų114.269%0.6961%0.607SS**Hα-helixtrans-66.6-8.2-174.3-89.1-27.8000115.9
210I45.3Very low48.1Very low136 Ų136119 Ų11970%0.69762%0.62SS**Hα-helixtrans-72.5-36178.5-61.1177.5000111.2E208E208-I210 PolarHBondContact O-N 3.14Å
211K38.9Very low46.2Very low173 Ų173123 Ų12375%0.75264%0.636SS**Hα-helixtrans-73.9-33.1-176.8-66.7-176.3178.8-179.80113.1E208 A214E208-K211 PolarHBondContact O-N 3.14Å; K211-A214 PolarHBondContact O-N 2.91Å
212F33.4Very low44Very low150 Ų150126.3 Ų126.366%0.65864%0.643SS**Hα-helixtrans-72.8-30.7-176.3-153.8-95.1000113N216F212-N216 WeakPolarHBondContact CD1-ND2 3.24Å; F212-N216 VanDerWaalsContact CE1-ND2 3.35Å; F212-N216 WeakPolarHBondContact CE1-ND2 3.4Å; F212-N216 PolarHBondContact O-ND2 3.17Å
213L44.2Very low42Very low131 Ų131130.6 Ų130.669%0.68667%0.668SS**Hα-helixtrans-70.6-38.3175.1-71.4171.2000112.2L215 N216 F217L213-L215 PolarHBondContact O-N 2.77Å; L213-N216 PolarHBondContact O-N 2.92Å; L213-F217 PolarHBondContact O-N 3.4Å; L213-F217 VanDerWaalsContact O-N 3.11Å
214A43.8Very low40.3Very low64 Ų64134.5 Ų134.553%0.52969%0.686SS.*Hα-helixtrans-61.8-44.7-177.700000113.2K211 F217 F218K211-A214 PolarHBondContact O-N 2.91Å; A214-F217 PolarHBondContact O-N 3.12Å; A214-F218 PolarHBondContact O-N 2.55Å
215L41.5Very low39.5Very low133 Ų133137.9 Ų137.970%0.69670%0.7SS**Hα-helixtrans-70.4-36.5-178.3-69.8172.5000113L213 F218 K219L213-L215 PolarHBondContact O-N 2.77Å; L215-F218 PolarHBondContact O-N 2.87Å; L215-K219 PolarHBondContact O-N 3.22Å
216N44.7Very low39Very low85 Ų85132.1 Ų132.146%0.45570%0.695SS.*Hα-helixtrans-72-31.7177.4-73.8-68.3000112.1F212 L213 F218 K219 L220F212-N216 WeakPolarHBondContact CD1-ND2 3.24Å; F212-N216 VanDerWaalsContact CE1-ND2 3.35Å; F212-N216 WeakPolarHBondContact CE1-ND2 3.4Å; F212-N216 PolarHBondContact O-ND2 3.17Å; L213-N216 PolarHBondContact O-N 2.92Å; N216-F218 VanDerWaalsContact C-N 3.33Å; N216-F218 PolarHBondContact O-N 2.94Å; N216-K219 PolarHBondContact O-N 3.38Å; N216-L220 PolarHBondContact O-N 3.28Å
217F43.8Very low38.9Very low158 Ų158135.3 Ų135.369%0.69371%0.712SS**Hα-helixtrans-64.2-37.4174.8-143.5-90.7000112.3L213 A214 I221L213-F217 PolarHBondContact O-N 3.4Å; L213-F217 VanDerWaalsContact O-N 3.11Å; A214-F217 PolarHBondContact O-N 3.12Å; F217-I221 HydrophobicContact CD1-CD1 4.16Å; F217-I221 HydrophobicContact CE1-CD1 4.41Å; F217-I221 WeakPolarHBondContact O-CD1 3.5Å; F217-I221 WeakPolarHBondContact O-CG1 3.49Å
218F39.4Very low38.7Very low162 Ų162136.1 Ų136.171%0.71172%0.719SS**Hα-helixtrans-73.4-33.2179-133-87.6000113.1A214 L215 N216A214-F218 PolarHBondContact O-N 2.55Å; L215-F218 PolarHBondContact O-N 2.87Å; N216-F218 VanDerWaalsContact C-N 3.33Å; N216-F218 PolarHBondContact O-N 2.94Å
219K38.8Very low38.2Very low168 Ų168134 Ų13473%0.7373%0.73SS**Hα-helixtrans-74.5-24.6-179.3-167170.7-178.8-179.30113.6L215 N216 I221L215-K219 PolarHBondContact O-N 3.22Å; N216-K219 PolarHBondContact O-N 3.38Å; K219-I221 VanDerWaalsContact C-N 3.33Å
220L40.1Very low37.9Very low145 Ų145136 Ų13676%0.75974%0.741SS**THydrogen-bonded Turntrans-79.9-12.3-179.7-16463.5000113.7N216N216-L220 PolarHBondContact O-N 3.28Å
221I44.1Very low37.2Very low119 Ų119134.8 Ų134.861%0.6175%0.751SS**THydrogen-bonded Turntrans-88.1-12.4-173.7-70.9171.5000113.2F217 K219F217-I221 HydrophobicContact CD1-CD1 4.16Å; F217-I221 HydrophobicContact CE1-CD1 4.41Å; F217-I221 WeakPolarHBondContact O-CD1 3.5Å; F217-I221 WeakPolarHBondContact O-CG1 3.49Å; K219-I221 VanDerWaalsContact C-N 3.33Å
222L36.1Very low36.8Very low139 Ų139131.7 Ų131.773%0.72876%0.758SS**SBendtrans-111.912-172.2-72.4174.1000115.4
223L40.3Very low36.4Very low142 Ų142128.2 Ų128.274%0.74376%0.764SS**  trans-147.389.9175.7-73.3176.6000111.9
224T33.6Very low35.6Very low141 Ų141130.2 Ų130.287%0.86577%0.774SS**  trans178.4100.9132.645.50000110.7
225D32Very low35.7Very low177 Ų177132 Ų13295%0.94778%0.78SS**  trans-108.1147.3144.6-74-56.3000106.8
226G30.9Very low34.9Very low71 Ų71133.6 Ų133.673%0.73278%0.784SS**  trans131.677169.300000118.3
227E31.3Very low34Very low206 Ų206137.6 Ų137.696%0.96381%0.805SS**  trans55.1-170.4140.9-54.5-16412000120.3
228A33.6Very low33.2Very low106 Ų106137.6 Ų137.688%0.87681%0.807SS**  trans-143.4163.1-153.600000114.7
229G28.3Very low33Very low78 Ų78135.4 Ų135.480%0.80481%0.809SS**  trans-176144.2171.700000114.2
230N31.8Very low32.3Very low173 Ų173133.1 Ų133.193%0.92581%0.809SS**  trans-102.3148.1175.7-65.4-61.3000111.3
231A29.9Very low31.6Very low109 Ų109129.5 Ų129.590%0.90181%0.807SS**  trans-170.8165.7145.500000111
232A30.8Very low30.7Very low109 Ų109130.7 Ų130.790%0.90182%0.815SS**  trans-125.6158.3177.800000111.7
233G26.1Very low30.2Very low76 Ų76131.7 Ų131.778%0.78481%0.814SS**  trans175130.5172.800000115
234L26.7Very low30Very low173 Ų173135 Ų13591%0.90682%0.818SS**  trans-106.7177157.7-117.485.4000107.3
235P46Very low29.6Very low101 Ų101131.5 Ų131.566%0.65681%0.809SS**  cis-138.3173.613.844.3-26.7000117.3
236E25.1Very low29.4Very low167 Ų167131 Ų13178%0.7881%0.806SS**  trans49.9125.3132.2-171.4164.6-159.900124.1
237L25.8Very low29.3Very low169 Ų169133.1 Ų133.189%0.88581%0.81SS**  -169.5157.3125.6-105.5167000112.3
238Q27.3Very low29.3Very low159 Ų159133.3 Ų133.374%0.74381%0.808SS**  trans-108.5162.4179.6-65.9-172-14.700112.8
239P33.5Very low28.9Very low116 Ų116134 Ų13475%0.75381%0.806SS**  -136.5144.399.119.23.1000112.9
240T24.5Very low28.6Very low119 Ų119135.8 Ų135.873%0.7381%0.806SS**  40.8118.282.371.30000113.9
241G26.4Very low28.4Very low70 Ų70133.2 Ų133.272%0.72280%0.801SS**  cis-169.2-164.11.200000108.2
242D24.6Very low28Very low143 Ų143133.8 Ų133.877%0.76580%0.798SS**  cis-158.8-178.9-2.2-119.9-57.9000112.6
243F26.8Very low27.8Very low161 Ų161134 Ų13471%0.70679%0.792SS**  trans-46.2143172.1-82-101.4000116
244Y34.3Very low27.9Very low212 Ų212139.7 Ų139.783%0.83179%0.79SS**  cis-132.7166.313.2-85.8-94.1000112
245G26.9Very low28.1Very low66 Ų66136 Ų13668%0.6878%0.779SS**  cis142.233.5-5.900000118.1
246D26.6Very low27.4Very low167 Ų167141.1 Ų141.189%0.89379%0.791SS**  trans-114.1141.3167.6-165.38.5000111.2
247S29.3Very low27.7Very low115 Ų115135.8 Ų135.880%0.80477%0.772SS**  trans-101.3118.9-146.4-68.70000115.3
248K30.3Very low28.3Very low211 Ų211135.9 Ų135.992%0.91777%0.768SS**  trans-95.2128.4165.6-66.6173.6-177.7168.40110.5
249S25.5Very low28.9Very low120 Ų120133 Ų13384%0.83977%0.766SS**  trans-108.9137.4158.163.20000110.8
250S23.5Very low29.4Very low116 Ų116131.5 Ų131.581%0.81175%0.751SS**  trans-60.2148.6-166.6490000115.8
251C26.3Very low30.5Very low119 Ų119128.2 Ų128.280%0.80473%0.732SS**  trans-54.5156.3166.554.80000114.3
252S21Very low31.8Very low121 Ų121126.6 Ų126.685%0.84671%0.71SS**  trans-144.2136150.5-87.70000111.7
253S28Very low33.5Very low112 Ų112125.2 Ų125.278%0.78370%0.698SS**  trans-64.2137-174.150.30000114
254R28.4Very low36.1Very low197 Ų197118.2 Ų118.274%0.74367%0.668SS**  trans-132.384.4161.3-108.7-175.7177.6-165.9-3112.1S315R254-S315 PolarHBondContact NH2-O 2.83Å
255S29.5Very low38.6Very low96 Ų96108.7 Ų108.767%0.67163%0.633SS**  trans-95.1144.5164.953.90000110.7
256K31.8Very low41.6Very low208 Ų208105.6 Ų105.690%0.90460%0.601SS**SBendtrans57.486177.8-65.5-178.2175.3178.60115.6
257S30.8Very low44.7Very low54 Ų5498.7 Ų98.738%0.37856%0.564SS.*  trans-146.520.4170.369.70000116.8S261S257-S261 PolarHBondContact O-N 3.26Å
258E40Very low47.5Very low172 Ų17293.3 Ų93.380%0.80453%0.526SS*.THydrogen-bonded Turntrans-90.3-8.6-178.2-67.7-162.7115.600115.4S261E258-S261 PolarHBondContact O-OG 3.47Å
259S38.7Very low50.4Low99 Ų9988.2 Ų88.269%0.69250%0.501SS*.THydrogen-bonded Turntrans-89.9-14165.855.50000113.3
260L44.4Very low53.2Low84 Ų8486.8 Ų86.844%0.4448%0.484SS..THydrogen-bonded Turntrans-97-18.6-178.1-71.5167.9000113S262 F263 T264L260-S262 PolarHBondContact O-N 2.93Å; L260-S262 VanDerWaalsContact O-N 3.1Å; L260-F263 PolarHBondContact O-N 2.79Å; L260-T264 PolarHBondContact O-N 3.11Å
261S47.7Very low56.3Low49 Ų4981.6 Ų81.634%0.34345%0.447SS..THydrogen-bonded Turntrans-63.3-19.6-173.659.50000114.8S257 E258 T264 A265S257-S261 PolarHBondContact O-N 3.26Å; E258-S261 PolarHBondContact O-OG 3.47Å; S261-T264 WeakPolarHBondContact CA-OG1 3.28Å; S261-T264 PolarHBondContact O-OG1 2.87Å; S261-A265 WeakPolarHBondContact O-CB 3.46Å
262S54.4Low59.1Low36 Ų3676.3 Ų76.325%0.25241%0.412SS..THydrogen-bonded Turntrans-78.9-17.8172.551.30000114.1L260L260-S262 PolarHBondContact O-N 2.93Å; L260-S262 VanDerWaalsContact O-N 3.1Å
263F59.4Low61.9Low115 Ų11573 Ų7350%0.50439%0.388SS..THydrogen-bonded Turntrans-99.4-22.8177.7-60.3-78000112L260 A265 P317 A320L260-F263 PolarHBondContact O-N 2.79Å; F263-A265 PolarHBondContact O-N 2.8Å; F263-P317 HydrophobicContact CB-CB 3.98Å; F263-A320 WeakPolarHBondContact O-CB 3.42Å
264T81.4Confident64.4Low13 Ų1374.5 Ų74.58%0.0839%0.386CS..SBendtrans-80.52.417259.70000113.8L260 S261 L314 P317L260-T264 PolarHBondContact O-N 3.11Å; S261-T264 WeakPolarHBondContact CA-OG1 3.28Å; S261-T264 PolarHBondContact O-OG1 2.87Å; T264-L314 PolarHBondContact O-N 3.4Å; T264-P317 HydrophobicContact CG2-CB 4.17Å
265A86.8Confident67Low13 Ų1365.3 Ų65.311%0.10735%0.352CS..EExtended strand (participates in β ladder)trans-125.6128-171.300000111.8S261 F263 V312 A346S261-A265 WeakPolarHBondContact O-CB 3.46Å; F263-A265 PolarHBondContact O-N 2.8Å; A265-V312 WeakPolarHBondContact CA-O 3.49Å; A265-A346 HydrophobicContact CB-CB 3.77Å; A265-A346 VanDerWaalsContact O-CB 3.3Å; A265-A346 WeakPolarHBondContact O-CB 3.16Å; A265-A346 PolarHBondContact O-N 2.94Å
266I89.8Confident69.8Low1 Ų163.5 Ų63.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-105.9143.7175.9-62.5178.2000108.2L268 F311 V312 L314 A320 L323 L324 V343 D344I266-L268 HydrophobicContact CG2-CD2 4.27Å; I266-F311 CarbonylContact O-C 3.58Å; I266-F311 WeakPolarHBondContact O-CA 3.47Å; I266-V312 PolarHBondContact N-O 2.96Å; I266-V312 PolarHBondContact O-N 3.23Å; I266-L314 HydrophobicContact CD1-CD1 3.85Å; I266-L314 HydrophobicContact CG1-CD1 4.36Å; I266-A320 HydrophobicContact CD1-CB 4.47Å; I266-A320 HydrophobicContact CG1-CB 4.37Å; I266-L323 HydrophobicContact CD1-CB 4.15Å; I266-L323 HydrophobicContact CD1-CD2 4.08Å; I266-L323 HydrophobicContact CD1-CG 4.21Å; I266-L324 HydrophobicContact CD1-CB 4.44Å; I266-V343 HydrophobicContact CG2-CG1 3.56Å; I266-D344 CarbonylContact C-O 3.44Å; I266-D344 WeakPolarHBondContact CA-O 3.41Å; I266-D344 WeakPolarHBondContact CG2-O 3.44Å
267I91.3Very high72.5Confident21 Ų2155.4 Ų55.411%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-107.4125.3166.7-172.9176.1000109.6R269 F309 A310 F311 D344 A346I267-R269 HydrophobicContact CD1-CG 4.28Å; I267-R269 HydrophobicContact CG1-CG 4.16Å; I267-F309 HydrophobicContact CD1-CB 4.33Å; I267-F309 HydrophobicContact CD1-CD2 4.24Å; I267-F309 HydrophobicContact CG1-CB 4.4Å; I267-A310 WeakPolarHBondContact CA-O 3.24Å; I267-F311 HydrophobicContact CB-CD1 4.01Å; I267-F311 HydrophobicContact CB-CE1 3.98Å; I267-F311 HydrophobicContact CD1-CD1 4.47Å; I267-F311 HydrophobicContact CD1-CE1 3.73Å; I267-F311 HydrophobicContact CD1-CZ 3.97Å; I267-F311 HydrophobicContact CG1-CD1 4.14Å; I267-F311 HydrophobicContact CG1-CE1 3.9Å; I267-F311 HydrophobicContact CG1-CZ 4.44Å; I267-D344 HydrophobicContact CG2-CB 3.88Å; I267-D344 PolarHBondContact N-O 3.31Å; I267-D344 PolarHBondContact O-N 2.81Å; I267-D344 VanDerWaalsContact O-N 3.1Å; I267-A346 HydrophobicContact CB-CB 4.31Å
268L89.4Confident75.1Confident3 Ų357.4 Ų57.42%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-92.4134.2168.3-55.5177.7000108.2I266 I271 I280 L284 F309 A310 V312 I341 G342 V343I266-L268 HydrophobicContact CG2-CD2 4.27Å; L268-I271 HydrophobicContact CB-CD1 3.87Å; L268-I271 HydrophobicContact CB-CG1 4.33Å; L268-I280 HydrophobicContact CD1-CG2 3.75Å; L268-L284 HydrophobicContact CD1-CD1 4.15Å; L268-F309 WeakPolarHBondContact O-CA 3.35Å; L268-F309 WeakPolarHBondContact O-CB 3.19Å; L268-A310 PolarHBondContact N-O 2.67Å; L268-A310 PolarHBondContact O-N 3.36Å; L268-V312 HydrophobicContact CD1-CG2 3.78Å; L268-V312 HydrophobicContact CG-CG2 4.14Å; L268-I341 HydrophobicContact CB-CG2 4.02Å; L268-I341 HydrophobicContact CD2-CG2 4.08Å; L268-G342 CarbonylContact C-O 3.31Å; L268-V343 HydrophobicContact CD2-CB 4.45Å; L268-V343 HydrophobicContact CD2-CG1 3.99Å; L268-V343 HydrophobicContact CD2-CG2 3.95Å
269R89.5Confident77.4Confident104 Ų10451.3 Ų51.339%0.39229%0.286SS..EExtended strand (participates in β ladder)trans-128.4163.9179.8-54.3-171.3-164121.811.4111.3I267 I271 G308 I341 G342 D344I267-R269 HydrophobicContact CD1-CG 4.28Å; I267-R269 HydrophobicContact CG1-CG 4.16Å; R269-I271 VanDerWaalsContact C-N 3.28Å; R269-G308 CarbonylContact C-O 3.57Å; R269-G308 WeakPolarHBondContact CA-O 3.4Å; R269-I341 WeakPolarHBondContact O-CA 3.47Å; R269-G342 PolarHBondContact N-O 3.37Å; R269-G342 PolarHBondContact O-N 2.83Å; R269-D344 IonicContact CZ-OD2 2.96Å; R269-D344 IonicContact NH1-OD2 3.73Å; R269-D344 PolarHBondContact NH1-OD2 3.32Å; R269-D344 IonicContact NH2-OD2 3.69Å; R269-D344 PolarHBondContact NH2-OD2 3.07Å
270N85.9Confident79.7Confident90 Ų9046.8 Ų46.848%0.48125%0.254SS..SBendtrans64.528.3-176.2-163.440.3000114.1G308 T340N270-G308 PolarHBondContact N-O 3.22Å; N270-T340 PolarHBondContact ND2-O 3.04Å
271I88.2Confident81.7Confident6 Ų644.4 Ų44.43%0.03124%0.241CC..  trans-71.2140.3177.1-44.6-178.2000109.6L268 R269 T275 I280 L297 G308 A310L268-I271 HydrophobicContact CB-CD1 3.87Å; L268-I271 HydrophobicContact CB-CG1 4.33Å; R269-I271 VanDerWaalsContact C-N 3.28Å; I271-T275 HydrophobicContact CG2-CG2 3.67Å; I271-T275 WeakPolarHBondContact CG2-OG1 3.28Å; I271-I280 HydrophobicContact CD1-CD1 4.25Å; I271-I280 HydrophobicContact CG2-CD1 4.33Å; I271-L297 HydrophobicContact CD1-CD1 4.46Å; I271-G308 PolarHBondContact N-O 3.21Å; I271-G308 VanDerWaalsContact N-O 3.1Å; I271-G308 WeakPolarHBondContact O-CA 3.43Å; I271-A310 HydrophobicContact CD1-CB 3.5Å; I271-A310 VanDerWaalsContact CD1-CB 3.5Å
272A84.6Confident83.5Confident8 Ų847.3 Ų47.37%0.06626%0.257CS..  trans-68.6147.317900000112.8L274 T275 D337 K339A272-L274 PolarHBondContact O-N 3.44Å; A272-L274 VanDerWaalsContact O-N 3.1Å; A272-T275 HydrophobicContact CB-CG2 4.27Å; A272-T275 PolarHBondContact O-N 2.8Å; A272-T275 PolarHBondContact O-OG1 2.85Å; A272-D337 HydrophobicContact CB-CB 3.76Å; A272-K339 HydrophobicContact CB-CD 4.11Å
273P80.2Confident84.9Confident52 Ų5246.3 Ų46.334%0.33825%0.251SS..THydrogen-bonded Turntrans-61.3-21.7-173.7-25.835.6000116Q305 N306P273-Q305 HydrophobicContact CB-CB 4.42Å; P273-N306 PolarHBondContact O-N 2.63Å; P273-N306 VanDerWaalsContact O-N 3.17Å; P273-N306 PolarHBondContact O-ND2 3.18Å
274L80.1Confident86.1Confident144 Ų14441 Ų4175%0.75423%0.228SC*.THydrogen-bonded Turntrans-101.4-6-175.2-60.8178000114.5A272A272-L274 PolarHBondContact O-N 3.44Å; A272-L274 VanDerWaalsContact O-N 3.1Å
275T83.5Confident86.2Confident4 Ų443.4 Ų43.43%0.02525%0.249CC..  trans-52149.417641.40000112.4I271 A272 N306 D337I271-T275 HydrophobicContact CG2-CG2 3.67Å; I271-T275 WeakPolarHBondContact CG2-OG1 3.28Å; A272-T275 HydrophobicContact CB-CG2 4.27Å; A272-T275 PolarHBondContact O-N 2.8Å; A272-T275 PolarHBondContact O-OG1 2.85Å; T275-N306 PolarHBondContact N-ND2 3.07Å; T275-N306 PolarHBondContact O-ND2 3.34Å; T275-N306 PolarHBondContact OG1-ND2 2.82Å; T275-D337 WeakPolarHBondContact CG2-OD2 3.25Å
276T88.3Confident85.9Confident58 Ų5847.3 Ų47.336%0.35627%0.274SS..  trans-101.5177.4168.274.50000110.5D278 T279 I280T276-D278 WeakPolarHBondContact CB-OD2 3.32Å; T276-D278 WeakPolarHBondContact OG1-CB 3.2Å; T276-D278 PolarHBondContact OG1-N 2.7Å; T276-D278 VanDerWaalsContact OG1-N 3.13Å; T276-D278 PolarHBondContact OG1-OD2 3.29Å; T276-T279 PolarHBondContact N-OG1 3.16Å; T276-T279 PolarHBondContact O-OG1 2.73Å; T276-T279 PolarHBondContact OG1-N 3.36Å; T276-I280 WeakPolarHBondContact O-CG1 3.43Å
277V87.7Confident85.5Confident37 Ų3751.5 Ų51.522%0.22429%0.29CS..Hα-helixtrans-67.9-31.3169178.60000109.7I280 L281 A292 I295 L297V277-I280 PolarHBondContact O-N 2.8Å; V277-L281 HydrophobicContact CG1-CD1 4.13Å; V277-L281 HydrophobicContact CG1-CG 4.34Å; V277-L281 WeakPolarHBondContact O-CG 3.3Å; V277-L281 PolarHBondContact O-N 2.87Å; V277-A292 HydrophobicContact CG1-CB 4.5Å; V277-I295 HydrophobicContact CG1-CB 4.07Å; V277-I295 HydrophobicContact CG1-CG2 4.15Å; V277-L297 HydrophobicContact CG2-CB 3.99Å; V277-L297 HydrophobicContact CG2-CD2 3.98Å
278D86.6Confident85Confident97 Ų9751.4 Ų51.452%0.51929%0.293SS..Hα-helixtrans-72.1-37.7-175.3-31.5-81.5000111.9T276 I280 L281 T282T276-D278 WeakPolarHBondContact CB-OD2 3.32Å; T276-D278 WeakPolarHBondContact OG1-CB 3.2Å; T276-D278 PolarHBondContact OG1-N 2.7Å; T276-D278 VanDerWaalsContact OG1-N 3.13Å; T276-D278 PolarHBondContact OG1-OD2 3.29Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3Å; D278-L281 PolarHBondContact O-N 3.21Å; D278-T282 WeakPolarHBondContact O-CB 3.29Å; D278-T282 PolarHBondContact O-N 3.47Å; D278-T282 PolarHBondContact O-OG1 3.31Å
279T86.8Confident84.5Confident44 Ų4459.1 Ų59.127%0.2733%0.334SS..Hα-helixtrans-65.2-36.7171.864.30000111.5T276 A283 M336T276-T279 PolarHBondContact N-OG1 3.16Å; T276-T279 PolarHBondContact O-OG1 2.73Å; T276-T279 PolarHBondContact OG1-N 3.36Å; T279-A283 WeakPolarHBondContact O-CB 3.33Å; T279-A283 PolarHBondContact O-N 3.15Å; T279-A283 VanDerWaalsContact O-N 3.08Å; T279-M336 VanDerWaalsContact O-CE 3.25Å; T279-M336 WeakPolarHBondContact O-CE 3.44Å
280I87.3Confident84Confident3 Ų355.2 Ų55.22%0.01532%0.32CS..Hα-helixtrans-68.9-38.2174.8-57.7169000111.2L268 I271 T276 V277 D278 L284 I295 L297 A310L268-I280 HydrophobicContact CD1-CG2 3.75Å; I271-I280 HydrophobicContact CD1-CD1 4.25Å; I271-I280 HydrophobicContact CG2-CD1 4.33Å; T276-I280 WeakPolarHBondContact O-CG1 3.43Å; V277-I280 PolarHBondContact O-N 2.8Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3Å; I280-L284 HydrophobicContact CG2-CD1 3.95Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 WeakPolarHBondContact O-CG 3.1Å; I280-L284 PolarHBondContact O-N 2.88Å; I280-I295 HydrophobicContact CG2-CD1 3.94Å; I280-I295 HydrophobicContact CG2-CG2 4.36Å; I280-L297 HydrophobicContact CD1-CD1 4.01Å; I280-L297 HydrophobicContact CD1-CD2 4.38Å; I280-A310 HydrophobicContact CD1-CB 4.37Å
281L86.3Confident83.7Confident35 Ų3553.5 Ų53.518%0.18332%0.316CS..Hα-helixtrans-63-50.2173.7-75.3168.3000111.2V277 D278 A283 L284 A285 L290 A292 I295V277-L281 HydrophobicContact CG1-CD1 4.13Å; V277-L281 HydrophobicContact CG1-CG 4.34Å; V277-L281 WeakPolarHBondContact O-CG 3.3Å; V277-L281 PolarHBondContact O-N 2.87Å; D278-L281 PolarHBondContact O-N 3.21Å; L281-A283 VanDerWaalsContact C-N 3.27Å; L281-A283 PolarHBondContact O-N 2.61Å; L281-L284 PolarHBondContact O-N 2.69Å; L281-L284 VanDerWaalsContact O-N 3.11Å; L281-A285 WeakPolarHBondContact O-CB 3.26Å; L281-A285 PolarHBondContact O-N 2.96Å; L281-L290 HydrophobicContact CD2-CB 3.87Å; L281-A292 HydrophobicContact CD1-CB 4.14Å; L281-I295 HydrophobicContact CD2-CD1 3.54Å; L281-I295 HydrophobicContact CD2-CG1 4.22Å; L281-I295 HydrophobicContact CG-CD1 3.94Å
282T87Confident83Confident109 Ų10955.9 Ų55.967%0.66934%0.336SS*.Hα-helixtrans-58.7-38.3179.5-58.20000112.1D278D278-T282 WeakPolarHBondContact O-CB 3.29Å; D278-T282 PolarHBondContact O-N 3.47Å; D278-T282 PolarHBondContact O-OG1 3.31Å
283A83.7Confident82.8Confident16 Ų1662.3 Ų62.313%0.13237%0.369CS..Hα-helixtrans-69.5-28.5177.700000114.6T279 L281 M336T279-A283 WeakPolarHBondContact O-CB 3.33Å; T279-A283 PolarHBondContact O-N 3.15Å; T279-A283 VanDerWaalsContact O-N 3.08Å; L281-A283 VanDerWaalsContact C-N 3.27Å; L281-A283 PolarHBondContact O-N 2.61Å; A283-M336 HydrophobicContact CB-CE 3.81Å; A283-M336 HydrophobicContact CB-CG 4.15Å; A283-M336 HydrophobicContact CB-SD 3.33Å; A283-M336 WeakPolarHBondContact CB-SD 3.37Å
284L84.7Confident83Confident3 Ų362 Ų622%0.01637%0.365CS..Hα-helixtrans-100.7-19.6-176.5-65.9178.2000113.3L268 I280 L281 P286 Y287 A288 L290 I295 V312 L327 L334L268-L284 HydrophobicContact CD1-CD1 4.15Å; I280-L284 HydrophobicContact CG2-CD1 3.95Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 WeakPolarHBondContact O-CG 3.1Å; I280-L284 PolarHBondContact O-N 2.88Å; L281-L284 PolarHBondContact O-N 2.69Å; L281-L284 VanDerWaalsContact O-N 3.11Å; L284-P286 VanDerWaalsContact C-CD 3.42Å; L284-Y287 CarbonylContact O-C 3.58Å; L284-Y287 WeakPolarHBondContact O-CA 3.36Å; L284-Y287 PolarHBondContact O-N 3.02Å; L284-A288 PolarHBondContact O-N 3.22Å; L284-L290 HydrophobicContact CB-CD1 3.68Å; L284-L290 HydrophobicContact CD1-CD1 3.63Å; L284-L290 HydrophobicContact CG-CD1 4.32Å; L284-I295 HydrophobicContact CD1-CD1 4.49Å; L284-V312 HydrophobicContact CD1-CG2 4.1Å; L284-L327 HydrophobicContact CD2-CD1 3.69Å; L284-L327 HydrophobicContact CD2-CD2 4.19Å; L284-L334 HydrophobicContact CD2-CD2 4.39Å
285A82Confident83.3Confident64 Ų6455.7 Ų55.753%0.52933%0.332SS..THydrogen-bonded Turntrans-46.6-42.7176.500000115.5L281 Y287L281-A285 WeakPolarHBondContact O-CB 3.26Å; L281-A285 PolarHBondContact O-N 2.96Å; A285-Y287 PolarHBondContact O-N 3.47Å
286P82.1Confident83.6Confident95 Ų9563 Ų6362%0.61736%0.359SS*.THydrogen-bonded Turntrans-72.7-11177.228.5-35.5000114.4L284L284-P286 VanDerWaalsContact C-CD 3.42Å
287Y81.1Confident83.6Confident88 Ų8861.3 Ų61.335%0.34535%0.348SS..THydrogen-bonded Turntrans-114.9-24.4-176.5-52.8-60.9000113.6L284 A285 I326 L327 L330 L334L284-Y287 CarbonylContact O-C 3.58Å; L284-Y287 WeakPolarHBondContact O-CA 3.36Å; L284-Y287 PolarHBondContact O-N 3.02Å; A285-Y287 PolarHBondContact O-N 3.47Å; Y287-I326 HydrophobicContact CD1-CG2 3.65Å; Y287-I326 HydrophobicContact CE1-CG2 4.2Å; Y287-I326 HydrophobicContact CG-CG2 4.19Å; Y287-L327 HydrophobicContact CD2-CD2 3.74Å; Y287-L327 HydrophobicContact CE2-CD2 4.14Å; Y287-L327 HydrophobicContact CG-CD2 4.22Å; Y287-L330 HydrophobicContact CE1-CD1 4.29Å; Y287-L330 HydrophobicContact CE1-CD2 3.98Å; Y287-L330 HydrophobicContact CE2-CD1 3.91Å; Y287-L334 HydrophobicContact CE2-CD1 4.49Å
288A80.4Confident83.7Confident20 Ų2062.1 Ų62.117%0.16535%0.35CS..  trans-155.5139.917400000111.6L284 L290 L323L284-A288 PolarHBondContact O-N 3.22Å; A288-L290 HydrophobicContact CB-CD1 4.5Å; A288-L290 HydrophobicContact CB-CD2 4.07Å; A288-L290 HydrophobicContact CB-CG 4.01Å; A288-L290 PolarHBondContact O-N 2.99Å; A288-L290 VanDerWaalsContact O-N 3.15Å; A288-L323 HydrophobicContact CB-CD1 4.06Å; A288-L323 HydrophobicContact CB-CD2 3.83Å; A288-L323 HydrophobicContact CB-CG 4.48Å
289N78.8Confident83.7Confident165 Ų16563 Ų6388%0.88235%0.349SS*.  trans-74.9102.3171.2-173.5-2.9000109.8
290L79.8Confident83.7Confident21 Ų2163.2 Ų63.211%0.1135%0.349CS..  trans-117.9141-175.7-60.2-178.1000111.6L281 L284 A288 I295 V312 L314L281-L290 HydrophobicContact CD2-CB 3.87Å; L284-L290 HydrophobicContact CB-CD1 3.68Å; L284-L290 HydrophobicContact CD1-CD1 3.63Å; L284-L290 HydrophobicContact CG-CD1 4.32Å; A288-L290 HydrophobicContact CB-CD1 4.5Å; A288-L290 HydrophobicContact CB-CD2 4.07Å; A288-L290 HydrophobicContact CB-CG 4.01Å; A288-L290 PolarHBondContact O-N 2.99Å; A288-L290 VanDerWaalsContact O-N 3.15Å; L290-I295 HydrophobicContact CD1-CD1 4.12Å; L290-V312 HydrophobicContact CD1-CG1 3.79Å; L290-V312 HydrophobicContact CD2-CG1 4.11Å; L290-L314 HydrophobicContact CD2-CD2 3.51Å
291S77.9Confident83.5Confident55 Ų5573 Ų7339%0.38539%0.391SS..  trans-102.3159.5167.373.20000111N293 N294S291-N293 PolarHBondContact O-N 3.33Å; S291-N293 VanDerWaalsContact O-N 3.13Å; S291-N294 WeakPolarHBondContact O-CB 3.44Å; S291-N294 PolarHBondContact O-N 3.27Å
292A75Confident83.2Confident55 Ų5580.1 Ų80.146%0.45542%0.423SS..G310 helixtrans-54.8-32175.900000113.2V277 L281 N294 I295V277-A292 HydrophobicContact CG1-CB 4.5Å; L281-A292 HydrophobicContact CD1-CB 4.14Å; A292-N294 PolarHBondContact O-N 3.4Å; A292-I295 PolarHBondContact O-N 3.01Å; A292-I295 VanDerWaalsContact O-N 3.1Å
293N80.1Confident83Confident144 Ų14479.2 Ų79.277%0.7742%0.418SS*.G310 helixtrans-63-24.1176.8-67.4-35.7000113.6S291S291-N293 PolarHBondContact O-N 3.33Å; S291-N293 VanDerWaalsContact O-N 3.13Å
294N83.4Confident82.8Confident45 Ų4580.6 Ų80.624%0.24143%0.433CS..G310 helixtrans-80.6-15.6178.3-66.9-1.9000112.4S291 A292 V312 Q313S291-N294 WeakPolarHBondContact O-CB 3.44Å; S291-N294 PolarHBondContact O-N 3.27Å; A292-N294 PolarHBondContact O-N 3.4Å; N294-V312 CarbonylContact O-C 3.54Å; N294-V312 WeakPolarHBondContact O-CA 3.46Å; N294-Q313 VanDerWaalsContact CB-O 3.25Å; N294-Q313 WeakPolarHBondContact CB-O 3.41Å; N294-Q313 PolarHBondContact O-N 3.05Å
295I87.8Confident82.7Confident11 Ų1185.1 Ų85.16%0.05645%0.454CS..EExtended strand (participates in β ladder)trans-112.6119.7-172.2-53.7-165.6000111.3V277 I280 L281 L284 L290 A292 F311 V312V277-I295 HydrophobicContact CG1-CB 4.07Å; V277-I295 HydrophobicContact CG1-CG2 4.15Å; I280-I295 HydrophobicContact CG2-CD1 3.94Å; I280-I295 HydrophobicContact CG2-CG2 4.36Å; L281-I295 HydrophobicContact CD2-CD1 3.54Å; L281-I295 HydrophobicContact CD2-CG1 4.22Å; L281-I295 HydrophobicContact CG-CD1 3.94Å; L284-I295 HydrophobicContact CD1-CD1 4.49Å; L290-I295 HydrophobicContact CD1-CD1 4.12Å; A292-I295 PolarHBondContact O-N 3.01Å; A292-I295 VanDerWaalsContact O-N 3.1Å; I295-F311 WeakPolarHBondContact CA-O 3.49Å; I295-V312 HydrophobicContact CD1-CG2 4.4Å; I295-V312 HydrophobicContact CG1-CG2 4.27Å
296R88Confident83Confident159 Ų15982.6 Ų82.660%0.643%0.432SS*.EExtended strand (participates in β ladder)trans-11286.7177.6-61-176.3-177.9-154.7-0.4110I298 A310 F311R296-I298 PolarHBondContact O-N 3.17Å; R296-A310 WeakPolarHBondContact O-CA 3.48Å; R296-F311 HydrophobicContact CB-CB 4.38Å; R296-F311 PolarHBondContact N-O 2.75Å; R296-F311 PolarHBondContact O-N 3.37Å
297L89.2Confident83Confident22 Ų2285.3 Ų85.312%0.11543%0.43CS..EExtended strand (participates in β ladder)trans-71.8119.5172.7-179.357.1000109.8I271 V277 I280 K299 N306 A310I271-L297 HydrophobicContact CD1-CD1 4.46Å; V277-L297 HydrophobicContact CG2-CB 3.99Å; V277-L297 HydrophobicContact CG2-CD2 3.98Å; I280-L297 HydrophobicContact CD1-CD1 4.01Å; I280-L297 HydrophobicContact CD1-CD2 4.38Å; L297-K299 PolarHBondContact O-N 3.17Å; L297-N306 HydrophobicContact CD1-CB 4.08Å; L297-N306 WeakPolarHBondContact CD2-OD1 3.41Å; L297-A310 HydrophobicContact CB-CB 4.43Å; L297-A310 HydrophobicContact CD1-CB 3.98Å
298I89.1Confident83.1Confident53 Ų5382.1 Ų82.127%0.27242%0.424SS..EExtended strand (participates in β ladder)trans-89.5106.8-175.7-56-57.9000109.7R296 R307 F309 F311R296-I298 PolarHBondContact O-N 3.17Å; I298-R307 WeakPolarHBondContact O-CB 3.41Å; I298-R307 PolarHBondContact O-N 3.48Å; I298-F309 HydrophobicContact CB-CD2 4.18Å; I298-F309 HydrophobicContact CB-CE2 3.83Å; I298-F309 HydrophobicContact CB-CZ 4.22Å; I298-F309 HydrophobicContact CG1-CD2 3.99Å; I298-F309 HydrophobicContact CG1-CE2 3.69Å; I298-F309 HydrophobicContact CG2-CE2 4.01Å; I298-F309 HydrophobicContact CG2-CZ 4Å; I298-F309 PolarHBondContact N-O 3.32Å; I298-F311 HydrophobicContact CD1-CD2 4.17Å; I298-F311 HydrophobicContact CD1-CE2 4.26Å; I298-F311 HydrophobicContact CG1-CD2 3.98Å; I298-F311 HydrophobicContact CG1-CE2 3.88Å
299K87.3Confident83.5Confident115 Ų11583.9 Ų83.950%0.543%0.428SS..EExtended strand (participates in β ladder)trans-90.2151.7175.7-58.1-166.7170.5-148.90111.6L297 G304 Q305 N306L297-K299 PolarHBondContact O-N 3.17Å; K299-G304 WeakPolarHBondContact CD-O 3.31Å; K299-Q305 CarbonylContact C-O 3.58Å; K299-Q305 WeakPolarHBondContact CA-O 3.31Å; K299-N306 VanDerWaalsContact CE-OD1 3.22Å; K299-N306 WeakPolarHBondContact CE-OD1 3.47Å; K299-N306 WeakPolarHBondContact CG-OD1 3.43Å
300D86.1Confident84.1Confident50 Ų5076 Ų7627%0.26739%0.386SS..  trans-76.1144.6168.5171.849.7000110.6Q302 T303 G304 Q305 R307D300-Q302 PolarHBondContact OD2-N 3.02Å; D300-Q302 VanDerWaalsContact OD2-N 3.11Å; D300-T303 WeakPolarHBondContact CB-OG1 3.27Å; D300-T303 WeakPolarHBondContact OD2-CB 3.45Å; D300-T303 PolarHBondContact OD2-N 3.01Å; D300-T303 PolarHBondContact OD2-OG1 3Å; D300-G304 WeakPolarHBondContact O-CA 3.41Å; D300-G304 PolarHBondContact O-N 2.99Å; D300-G304 VanDerWaalsContact O-N 3.11Å; D300-Q305 PolarHBondContact N-O 3.2Å; D300-R307 HydrophobicContact CB-CG 3.92Å
301K84.3Confident84.6Confident207 Ų20778.3 Ų78.390%0.940%0.395SS*.THydrogen-bonded Turntrans-79.4-24.6-175.8-171.3179.3176-170.90112.8
302Q80.4Confident85.2Confident185 Ų18575.8 Ų75.886%0.86438%0.377SS*.THydrogen-bonded Turntrans-92.1-40.1-177.2-63.5-172.6-3.300112.3D300D300-Q302 PolarHBondContact OD2-N 3.02Å; D300-Q302 VanDerWaalsContact OD2-N 3.11Å
303T81.8Confident85.9Confident91 Ų9177.1 Ų77.156%0.55837%0.374SS*.THydrogen-bonded Turntrans-101-16.2-176.158.90000114.4D300 Q305D300-T303 WeakPolarHBondContact CB-OG1 3.27Å; D300-T303 WeakPolarHBondContact OD2-CB 3.45Å; D300-T303 PolarHBondContact OD2-N 3.01Å; D300-T303 PolarHBondContact OD2-OG1 3Å; T303-Q305 PolarHBondContact O-N 2.88Å; T303-Q305 VanDerWaalsContact O-N 3.08Å
304G79.6Confident86.3Confident44 Ų4470.8 Ų70.845%0.45434%0.34SS..  trans69.3-4.2-174.100000115.1K299 D300K299-G304 WeakPolarHBondContact CD-O 3.31Å; D300-G304 WeakPolarHBondContact O-CA 3.41Å; D300-G304 PolarHBondContact O-N 2.99Å; D300-G304 VanDerWaalsContact O-N 3.11Å
305Q82Confident86.3Confident98 Ų9871.9 Ų71.946%0.45835%0.352SS..  trans-78.5160.9179.5-63.9-173.13.300112P273 K299 D300 T303P273-Q305 HydrophobicContact CB-CB 4.42Å; K299-Q305 CarbonylContact C-O 3.58Å; K299-Q305 WeakPolarHBondContact CA-O 3.31Å; D300-Q305 PolarHBondContact N-O 3.2Å; T303-Q305 PolarHBondContact O-N 2.88Å; T303-Q305 VanDerWaalsContact O-N 3.08Å
306N88.5Confident86.1Confident11 Ų1173 Ų736%0.05936%0.361CS..EExtended strand (participates in β ladder)trans-75.1134.7-179.2-54.4-33.9000111.3P273 T275 L297 K299 G308P273-N306 PolarHBondContact O-N 2.63Å; P273-N306 VanDerWaalsContact O-N 3.17Å; P273-N306 PolarHBondContact O-ND2 3.18Å; T275-N306 PolarHBondContact N-ND2 3.07Å; T275-N306 PolarHBondContact O-ND2 3.34Å; T275-N306 PolarHBondContact OG1-ND2 2.82Å; L297-N306 HydrophobicContact CD1-CB 4.08Å; L297-N306 WeakPolarHBondContact CD2-OD1 3.41Å; K299-N306 VanDerWaalsContact CE-OD1 3.22Å; K299-N306 WeakPolarHBondContact CE-OD1 3.47Å; K299-N306 WeakPolarHBondContact CG-OD1 3.43Å; N306-G308 PolarHBondContact O-N 2.71Å
307R83.2Confident85.9Confident152 Ų15267.9 Ų67.957%0.57435%0.348SS*.EExtended strand (participates in β ladder)trans-75.717.3179.6-62.1-173.765.8-168.9-0.5114I298 D300 F309I298-R307 WeakPolarHBondContact O-CB 3.41Å; I298-R307 PolarHBondContact O-N 3.48Å; D300-R307 HydrophobicContact CB-CG 3.92Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 HydrophobicContact CB-CD1 4.19Å; R307-F309 HydrophobicContact CB-CE1 3.73Å; R307-F309 HydrophobicContact CB-CZ 4.38Å; R307-F309 WeakPolarHBondContact O-CD1 3.32Å; R307-F309 PolarHBondContact O-N 2.89Å
308G82.7Confident85.7Confident21 Ų2171.9 Ų71.922%0.21637%0.368CS..EExtended strand (participates in β ladder)trans77.87.7179.900000115.9R269 N270 I271 N306R269-G308 CarbonylContact C-O 3.57Å; R269-G308 WeakPolarHBondContact CA-O 3.4Å; N270-G308 PolarHBondContact N-O 3.22Å; I271-G308 PolarHBondContact N-O 3.21Å; I271-G308 VanDerWaalsContact N-O 3.1Å; I271-G308 WeakPolarHBondContact O-CA 3.43Å; N306-G308 PolarHBondContact O-N 2.71Å
309F89.3Confident85.6Confident57 Ų5772.8 Ų72.825%0.2537%0.372CS..EExtended strand (participates in β ladder)trans-146.5153176.662.2-85.2000114.1I267 L268 I298 R307 F311I267-F309 HydrophobicContact CD1-CB 4.33Å; I267-F309 HydrophobicContact CD1-CD2 4.24Å; I267-F309 HydrophobicContact CG1-CB 4.4Å; L268-F309 WeakPolarHBondContact O-CA 3.35Å; L268-F309 WeakPolarHBondContact O-CB 3.19Å; I298-F309 HydrophobicContact CB-CD2 4.18Å; I298-F309 HydrophobicContact CB-CE2 3.83Å; I298-F309 HydrophobicContact CB-CZ 4.22Å; I298-F309 HydrophobicContact CG1-CD2 3.99Å; I298-F309 HydrophobicContact CG1-CE2 3.69Å; I298-F309 HydrophobicContact CG2-CE2 4.01Å; I298-F309 HydrophobicContact CG2-CZ 4Å; I298-F309 PolarHBondContact N-O 3.32Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 HydrophobicContact CB-CD1 4.19Å; R307-F309 HydrophobicContact CB-CE1 3.73Å; R307-F309 HydrophobicContact CB-CZ 4.38Å; R307-F309 WeakPolarHBondContact O-CD1 3.32Å; R307-F309 PolarHBondContact O-N 2.89Å; F309-F311 HydrophobicContact CD2-CE2 4.01Å; F309-F311 HydrophobicContact CD2-CZ 4.28Å; F309-F311 AromaticContact CE2-CE2 3.97Å; F309-F311 HydrophobicContact CE2-CE2 3.97Å; F309-F311 HydrophobicContact CE2-CZ 4.31Å
310A89.8Confident85.6Confident0 Ų067.3 Ų67.30%035%0.348CS..EExtended strand (participates in β ladder)trans-140.6152.4176.900000110.1I267 L268 I271 I280 R296 L297I267-A310 WeakPolarHBondContact CA-O 3.24Å; L268-A310 PolarHBondContact N-O 2.67Å; L268-A310 PolarHBondContact O-N 3.36Å; I271-A310 HydrophobicContact CD1-CB 3.5Å; I271-A310 VanDerWaalsContact CD1-CB 3.5Å; I280-A310 HydrophobicContact CD1-CB 4.37Å; R296-A310 WeakPolarHBondContact O-CA 3.48Å; L297-A310 HydrophobicContact CB-CB 4.43Å; L297-A310 HydrophobicContact CD1-CB 3.98Å
311F91.4Very high85.7Confident70 Ų7066.6 Ų66.631%0.30735%0.347SS..EExtended strand (participates in β ladder)trans-105.7131172.3-61-83.5000110.2I266 I267 I295 R296 I298 F309 A346I266-F311 CarbonylContact O-C 3.58Å; I266-F311 WeakPolarHBondContact O-CA 3.47Å; I267-F311 HydrophobicContact CB-CD1 4.01Å; I267-F311 HydrophobicContact CB-CE1 3.98Å; I267-F311 HydrophobicContact CD1-CD1 4.47Å; I267-F311 HydrophobicContact CD1-CE1 3.73Å; I267-F311 HydrophobicContact CD1-CZ 3.97Å; I267-F311 HydrophobicContact CG1-CD1 4.14Å; I267-F311 HydrophobicContact CG1-CE1 3.9Å; I267-F311 HydrophobicContact CG1-CZ 4.44Å; I295-F311 WeakPolarHBondContact CA-O 3.49Å; R296-F311 HydrophobicContact CB-CB 4.38Å; R296-F311 PolarHBondContact N-O 2.75Å; R296-F311 PolarHBondContact O-N 3.37Å; I298-F311 HydrophobicContact CD1-CD2 4.17Å; I298-F311 HydrophobicContact CD1-CE2 4.26Å; I298-F311 HydrophobicContact CG1-CD2 3.98Å; I298-F311 HydrophobicContact CG1-CE2 3.88Å; F309-F311 HydrophobicContact CD2-CE2 4.01Å; F309-F311 HydrophobicContact CD2-CZ 4.28Å; F309-F311 AromaticContact CE2-CE2 3.97Å; F309-F311 HydrophobicContact CE2-CE2 3.97Å; F309-F311 HydrophobicContact CE2-CZ 4.31Å; F311-A346 HydrophobicContact CD1-CB 3.82Å; F311-A346 HydrophobicContact CE1-CB 4.05Å
312V91Very high85.9Confident1 Ų161.6 Ų61.61%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-108.6119.6171.8-178.80000107.6A265 I266 L268 L284 L290 N294 I295 L314A265-V312 WeakPolarHBondContact CA-O 3.49Å; I266-V312 PolarHBondContact N-O 2.96Å; I266-V312 PolarHBondContact O-N 3.23Å; L268-V312 HydrophobicContact CD1-CG2 3.78Å; L268-V312 HydrophobicContact CG-CG2 4.14Å; L284-V312 HydrophobicContact CD1-CG2 4.1Å; L290-V312 HydrophobicContact CD1-CG1 3.79Å; L290-V312 HydrophobicContact CD2-CG1 4.11Å; N294-V312 CarbonylContact O-C 3.54Å; N294-V312 WeakPolarHBondContact O-CA 3.46Å; I295-V312 HydrophobicContact CD1-CG2 4.4Å; I295-V312 HydrophobicContact CG1-CG2 4.27Å; V312-L314 HydrophobicContact CG1-CG 4.45Å
313Q90Very high86.2Confident83 Ų8353 Ų5339%0.38829%0.287SS..EExtended strand (participates in β ladder)trans-107.2123.8178.5-175.1163.57.500110.5N294N294-Q313 VanDerWaalsContact CB-O 3.25Å; N294-Q313 WeakPolarHBondContact CB-O 3.41Å; N294-Q313 PolarHBondContact O-N 3.05Å
314L86.9Confident86.5Confident12 Ų1249.1 Ų49.16%0.06326%0.262CS..  trans-104.2161.3-173.1-70.8158.4000111.7T264 I266 L290 V312 E319 A320 L323T264-L314 PolarHBondContact O-N 3.4Å; I266-L314 HydrophobicContact CD1-CD1 3.85Å; I266-L314 HydrophobicContact CG1-CD1 4.36Å; L290-L314 HydrophobicContact CD2-CD2 3.51Å; V312-L314 HydrophobicContact CG1-CG 4.45Å; L314-E319 HydrophobicContact CB-CB 4.41Å; L314-E319 HydrophobicContact CD2-CB 4.46Å; L314-A320 HydrophobicContact CD1-CB 3.68Å; L314-L323 HydrophobicContact CD1-CD2 4.14Å
315S83.4Confident86.9Confident68 Ų6851.7 Ų51.748%0.47627%0.269SS..SBendtrans-66.6-40.3179.15.90000111.7R254 E319R254-S315 PolarHBondContact NH2-O 2.83Å; S315-E319 WeakPolarHBondContact CA-OE2 3.22Å; S315-E319 VanDerWaalsContact CB-OE2 3.26Å; S315-E319 WeakPolarHBondContact CB-OE2 3.31Å; S315-E319 PolarHBondContact N-OE2 2.85Å; S315-E319 VanDerWaalsContact N-OE2 3.11Å; S315-E319 PolarHBondContact OG-OE1 3.1Å; S315-E319 PolarHBondContact OG-OE2 3.34Å
316S84.9Confident87.2Confident35 Ų3550.6 Ų50.625%0.24527%0.266CS..  trans-125.5146.3-176-176.90000112.3L318 E319 A320S316-L318 PolarHBondContact O-N 2.81Å; S316-L318 PolarHBondContact OG-N 3.41Å; S316-E319 VanDerWaalsContact CB-OE1 3.26Å; S316-E319 WeakPolarHBondContact CB-OE1 3.23Å; S316-E319 PolarHBondContact N-OE2 2.85Å; S316-A320 PolarHBondContact O-N 3.49Å
317P83.6Confident87Confident51 Ų5150.4 Ų50.433%0.33127%0.265SS..Hα-helixtrans-70.5-19.217031-35.2000112.2F263 T264 A320 S321F263-P317 HydrophobicContact CB-CB 3.98Å; T264-P317 HydrophobicContact CG2-CB 4.17Å; P317-A320 PolarHBondContact O-N 3.45Å; P317-S321 PolarHBondContact O-N 3.34Å
318L85.2Confident87.1Confident105 Ų10548.8 Ų48.855%0.5526%0.264SS..Hα-helixtrans-70.2-47.1174.5-170.669000110.7S316 A320 S321 Q322S316-L318 PolarHBondContact O-N 2.81Å; S316-L318 PolarHBondContact OG-N 3.41Å; L318-A320 PolarHBondContact O-N 3.22Å; L318-S321 PolarHBondContact O-N 3.11Å; L318-S321 VanDerWaalsContact O-N 3.09Å; L318-S321 PolarHBondContact O-OG 2.73Å; L318-Q322 WeakPolarHBondContact O-CG 3.4Å; L318-Q322 PolarHBondContact O-N 3.08Å
319E87Confident87.1Confident72 Ų7250.5 Ų50.534%0.33628%0.282SS..Hα-helixtrans-54-41.3171.2-67153.3-157.600110.9L314 S315 S316 Q322 L323L314-E319 HydrophobicContact CB-CB 4.41Å; L314-E319 HydrophobicContact CD2-CB 4.46Å; S315-E319 WeakPolarHBondContact CA-OE2 3.22Å; S315-E319 VanDerWaalsContact CB-OE2 3.26Å; S315-E319 WeakPolarHBondContact CB-OE2 3.31Å; S315-E319 PolarHBondContact N-OE2 2.85Å; S315-E319 VanDerWaalsContact N-OE2 3.11Å; S315-E319 PolarHBondContact OG-OE1 3.1Å; S315-E319 PolarHBondContact OG-OE2 3.34Å; S316-E319 VanDerWaalsContact CB-OE1 3.26Å; S316-E319 WeakPolarHBondContact CB-OE1 3.23Å; S316-E319 PolarHBondContact N-OE2 2.85Å; E319-Q322 PolarHBondContact O-N 2.81Å; E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.4Å; E319-L323 PolarHBondContact O-N 2.77Å
320A86.8Confident86.7Confident0 Ų049.7 Ų49.70%028%0.279CS..Hα-helixtrans-64.7-41.4177.100000112.9F263 I266 L314 S316 P317 L318 L324 Y345F263-A320 WeakPolarHBondContact O-CB 3.42Å; I266-A320 HydrophobicContact CD1-CB 4.47Å; I266-A320 HydrophobicContact CG1-CB 4.37Å; L314-A320 HydrophobicContact CD1-CB 3.68Å; S316-A320 PolarHBondContact O-N 3.49Å; P317-A320 PolarHBondContact O-N 3.45Å; L318-A320 PolarHBondContact O-N 3.22Å; A320-L324 VanDerWaalsContact O-CB 3.24Å; A320-L324 WeakPolarHBondContact O-CB 3.35Å; A320-L324 PolarHBondContact O-N 2.76Å; A320-L324 VanDerWaalsContact O-N 3.07Å; A320-Y345 HydrophobicContact CB-CE1 4.46Å
321S87.7Confident85.5Confident35 Ų3558.6 Ų58.625%0.24532%0.321CS..Hα-helixtrans-66.8-42.1174.868.20000112.5P317 L318 L324 T325 Y345P317-S321 PolarHBondContact O-N 3.34Å; L318-S321 PolarHBondContact O-N 3.11Å; L318-S321 VanDerWaalsContact O-N 3.09Å; L318-S321 PolarHBondContact O-OG 2.73Å; S321-L324 PolarHBondContact O-N 3.31Å; S321-T325 PolarHBondContact O-N 3.06Å; S321-T325 PolarHBondContact O-OG1 3Å; S321-Y345 VanDerWaalsContact CA-OH 3.31Å; S321-Y345 WeakPolarHBondContact CA-OH 3.33Å; S321-Y345 VanDerWaalsContact CB-OH 3.29Å; S321-Y345 WeakPolarHBondContact CB-OH 3.46Å
322Q88.4Confident84.4Confident102 Ų10260.3 Ų60.348%0.47734%0.339SS..Hα-helixtrans-66-49.4179.4-71.4169.1-38.400111.3L318 E319 L324 T325 I326L318-Q322 WeakPolarHBondContact O-CG 3.4Å; L318-Q322 PolarHBondContact O-N 3.08Å; E319-Q322 PolarHBondContact O-N 2.81Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 2.9Å; Q322-T325 PolarHBondContact O-N 3.2Å; Q322-I326 WeakPolarHBondContact O-CB 3.39Å; Q322-I326 WeakPolarHBondContact O-CD1 3.44Å; Q322-I326 VanDerWaalsContact O-CG1 3.24Å; Q322-I326 WeakPolarHBondContact O-CG1 3.5Å; Q322-I326 PolarHBondContact O-N 2.9Å
323L87.3Confident83.7Confident5 Ų563.4 Ų63.43%0.02636%0.359CS..Hα-helixtrans-62.8-38.2178.3-175.761.2000111.6I266 A288 L314 E319 L327I266-L323 HydrophobicContact CD1-CB 4.15Å; I266-L323 HydrophobicContact CD1-CD2 4.08Å; I266-L323 HydrophobicContact CD1-CG 4.21Å; A288-L323 HydrophobicContact CB-CD1 4.06Å; A288-L323 HydrophobicContact CB-CD2 3.83Å; A288-L323 HydrophobicContact CB-CG 4.48Å; L314-L323 HydrophobicContact CD1-CD2 4.14Å; E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.4Å; E319-L323 PolarHBondContact O-N 2.77Å; L323-L327 HydrophobicContact CD1-CD1 3.82Å; L323-L327 HydrophobicContact CD1-CD2 4.47Å; L323-L327 HydrophobicContact CD1-CG 3.92Å; L323-L327 HydrophobicContact CG-CD1 3.84Å; L323-L327 HydrophobicContact CG-CG 4.3Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 WeakPolarHBondContact O-CG 3.44Å; L323-L327 PolarHBondContact O-N 3.47Å
324L88.1Confident83.2Confident10 Ų1060.5 Ų60.55%0.05235%0.346CS..Hα-helixtrans-62.8-49.4174.7-176.166.6000111.6I266 A320 S321 Q322 I326 L327 Q328 V343 Y345I266-L324 HydrophobicContact CD1-CB 4.44Å; A320-L324 VanDerWaalsContact O-CB 3.24Å; A320-L324 WeakPolarHBondContact O-CB 3.35Å; A320-L324 PolarHBondContact O-N 2.76Å; A320-L324 VanDerWaalsContact O-N 3.07Å; S321-L324 PolarHBondContact O-N 3.31Å; Q322-L324 VanDerWaalsContact C-N 3.31Å; Q322-L324 PolarHBondContact O-N 2.9Å; L324-I326 PolarHBondContact O-N 3.47Å; L324-L327 PolarHBondContact O-N 3.48Å; L324-Q328 HydrophobicContact CD1-CG 4.22Å; L324-Q328 WeakPolarHBondContact O-CB 3.3Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.32Å; L324-Q328 PolarHBondContact O-N 2.88Å; L324-V343 HydrophobicContact CD1-CB 4.16Å; L324-V343 HydrophobicContact CD1-CG1 3.6Å; L324-Y345 HydrophobicContact CD2-CD1 4.43Å; L324-Y345 HydrophobicContact CD2-CD2 3.46Å; L324-Y345 VanDerWaalsContact CD2-CD2 3.46Å; L324-Y345 HydrophobicContact CD2-CE1 4.25Å; L324-Y345 HydrophobicContact CD2-CE2 3.23Å; L324-Y345 HydrophobicContact CD2-CG 4.07Å
325T88.6Confident82.8Confident98 Ų9866.1 Ų66.160%0.60137%0.37SS*.Hα-helixtrans-64.1-39.6178.9-63.90000112.3S321 Q322 G329S321-T325 PolarHBondContact O-N 3.06Å; S321-T325 PolarHBondContact O-OG1 3Å; Q322-T325 PolarHBondContact O-N 3.2Å; T325-G329 PolarHBondContact O-N 2.82Å
326I87Confident82.6Confident74 Ų7464.3 Ų64.338%0.37936%0.355SS..Hα-helixtrans-61.1-55.7174.5-70.3163.6000109.8Y287 Q322 L324 Q328 G329 L330Y287-I326 HydrophobicContact CD1-CG2 3.65Å; Y287-I326 HydrophobicContact CE1-CG2 4.2Å; Y287-I326 HydrophobicContact CG-CG2 4.19Å; Q322-I326 WeakPolarHBondContact O-CB 3.39Å; Q322-I326 WeakPolarHBondContact O-CD1 3.44Å; Q322-I326 VanDerWaalsContact O-CG1 3.24Å; Q322-I326 WeakPolarHBondContact O-CG1 3.5Å; Q322-I326 PolarHBondContact O-N 2.9Å; L324-I326 PolarHBondContact O-N 3.47Å; I326-Q328 VanDerWaalsContact C-N 3.29Å; I326-Q328 PolarHBondContact O-N 3.15Å; I326-G329 CarbonylContact O-C 3.59Å; I326-G329 WeakPolarHBondContact O-CA 3.47Å; I326-G329 PolarHBondContact O-N 3.43Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.85Å; I326-L330 VanDerWaalsContact O-N 3.09Å
327L84.5Confident82Confident8 Ų866.7 Ų66.74%0.04237%0.365CS..Hα-helixtrans-66.5-27.5-175.6-66.7177.1000113.8L284 Y287 L323 L324 L330 L334 V343L284-L327 HydrophobicContact CD2-CD1 3.69Å; L284-L327 HydrophobicContact CD2-CD2 4.19Å; Y287-L327 HydrophobicContact CD2-CD2 3.74Å; Y287-L327 HydrophobicContact CE2-CD2 4.14Å; Y287-L327 HydrophobicContact CG-CD2 4.22Å; L323-L327 HydrophobicContact CD1-CD1 3.82Å; L323-L327 HydrophobicContact CD1-CD2 4.47Å; L323-L327 HydrophobicContact CD1-CG 3.92Å; L323-L327 HydrophobicContact CG-CD1 3.84Å; L323-L327 HydrophobicContact CG-CG 4.3Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 WeakPolarHBondContact O-CG 3.44Å; L323-L327 PolarHBondContact O-N 3.47Å; L324-L327 PolarHBondContact O-N 3.48Å; L327-L330 HydrophobicContact CD2-CD1 3.9Å; L327-L334 HydrophobicContact CD2-CD2 4.16Å; L327-V343 HydrophobicContact CB-CB 4.41Å; L327-V343 HydrophobicContact CB-CG1 4.29Å; L327-V343 HydrophobicContact CB-CG2 4.05Å; L327-V343 HydrophobicContact CD1-CG1 3.97Å; L327-V343 HydrophobicContact CD1-CG2 4.16Å
328Q85.9Confident81.5Confident118 Ų11867.8 Ų67.855%0.55139%0.385SS*.Hα-helixtrans-80.2-21.6171.6-70.3-179.4-1300113L324 I326 V343L324-Q328 HydrophobicContact CD1-CG 4.22Å; L324-Q328 WeakPolarHBondContact O-CB 3.3Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.32Å; L324-Q328 PolarHBondContact O-N 2.88Å; I326-Q328 VanDerWaalsContact C-N 3.29Å; I326-Q328 PolarHBondContact O-N 3.15Å; Q328-V343 PolarHBondContact NE2-O 3.38Å
329G82.1Confident81.2Confident57 Ų5766.9 Ų66.959%0.58838%0.377SS*.Hα-helixtrans-90.9-9.5178.100000115.1T325 I326 Q331T325-G329 PolarHBondContact O-N 2.82Å; I326-G329 CarbonylContact O-C 3.59Å; I326-G329 WeakPolarHBondContact O-CA 3.47Å; I326-G329 PolarHBondContact O-N 3.43Å; G329-Q331 PolarHBondContact O-N 3.33Å
330L80.3Confident81Confident39 Ų3966.3 Ų66.320%0.20438%0.378CS..  trans-64124.3176.9-67.9177.8000111.3Y287 I326 L327 P332 P333 L334Y287-L330 HydrophobicContact CE1-CD1 4.29Å; Y287-L330 HydrophobicContact CE1-CD2 3.98Å; Y287-L330 HydrophobicContact CE2-CD1 3.91Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.85Å; I326-L330 VanDerWaalsContact O-N 3.09Å; L327-L330 HydrophobicContact CD2-CD1 3.9Å; L330-P332 CarbonylContact C-O 3.59Å; L330-P332 CarbonylContact O-C 3.59Å; L330-P332 VanDerWaalsContact O-C 3.31Å; L330-P333 VanDerWaalsContact O-CA 3.29Å; L330-P333 WeakPolarHBondContact O-CA 3.35Å; L330-L334 HydrophobicContact CD1-CB 4.44Å
331Q65.1Low81.1Confident187 Ų18767 Ų6787%0.87438%0.381SS*.SBendtrans-119.1118.8163.6-66.9-170.4-0.600108.3G329G329-Q331 PolarHBondContact O-N 3.33Å
332P69.6Low81Confident106 Ų10667 Ų6769%0.68839%0.387SS*.SBendcis-65.5153.5-5.430-36.2000112.8L330L330-P332 CarbonylContact C-O 3.59Å; L330-P332 CarbonylContact O-C 3.59Å; L330-P332 VanDerWaalsContact O-C 3.31Å
333P75.6Confident81Confident66 Ų6662.7 Ų62.743%0.42937%0.368SS..  trans-66.7151.9179.828.9-36.5000111.8L330 K335 T340L330-P333 VanDerWaalsContact O-CA 3.29Å; L330-P333 WeakPolarHBondContact O-CA 3.35Å; P333-K335 PolarHBondContact O-N 3Å; P333-T340 HydrophobicContact CB-CG2 3.83Å; P333-T340 HydrophobicContact CG-CG2 3.79Å
334L78.4Confident81Confident22 Ų2265.1 Ų65.112%0.11538%0.381CS..  trans-53.9111.9-174.2-17375000112.1L284 Y287 L327 L330 T340 I341L284-L334 HydrophobicContact CD2-CD2 4.39Å; Y287-L334 HydrophobicContact CE2-CD1 4.49Å; L327-L334 HydrophobicContact CD2-CD2 4.16Å; L330-L334 HydrophobicContact CD1-CB 4.44Å; L334-T340 WeakPolarHBondContact O-CA 3.01Å; L334-I341 HydrophobicContact CD2-CB 4.41Å; L334-I341 HydrophobicContact CD2-CD1 4.23Å; L334-I341 PolarHBondContact O-N 3.37Å
335K79.4Confident81.1Confident131 Ų13168.8 Ų68.857%0.5740%0.395SS*.EExtended strand (participates in β ladder)trans-104.4134.4173.5-70.5178.1-177178.80110.5P333 K339P333-K335 PolarHBondContact O-N 3Å; K335-K339 CarbonylContact C-O 3.01Å; K335-K339 WeakPolarHBondContact CA-O 3.4Å
336M79.3Confident80.9Confident30 Ų3064.5 Ų64.515%0.14837%0.369CS..EExtended strand (participates in β ladder)trans-131.9132.1171.3-71.5-57.1-65.400109.6T279 A283 G338 K339 I341T279-M336 VanDerWaalsContact O-CE 3.25Å; T279-M336 WeakPolarHBondContact O-CE 3.44Å; A283-M336 HydrophobicContact CB-CE 3.81Å; A283-M336 HydrophobicContact CB-CG 4.15Å; A283-M336 HydrophobicContact CB-SD 3.33Å; A283-M336 WeakPolarHBondContact CB-SD 3.37Å; M336-G338 PolarHBondContact O-N 3.04Å; M336-K339 PolarHBondContact N-O 3.44Å; M336-K339 PolarHBondContact O-N 3.34Å; M336-I341 HydrophobicContact CB-CD1 3.77Å; M336-I341 HydrophobicContact CB-CG1 4.25Å; M336-I341 HydrophobicContact CG-CD1 3.51Å; M336-I341 HydrophobicContact CG-CG1 4.33Å
337D73Confident80.1Confident85 Ų8570 Ų7046%0.45539%0.39SS..THydrogen-bonded Turntrans47.646.1-177.8-54.42.2000111.8A272 T275 K339A272-D337 HydrophobicContact CB-CB 3.76Å; T275-D337 WeakPolarHBondContact CG2-OD2 3.25Å; D337-K339 PolarHBondContact O-N 3.05Å
338G71.3Confident78.6Confident73 Ų7372.8 Ų72.875%0.75341%0.411SS*.THydrogen-bonded Turntrans75.5-8.6-176.500000116.2M336M336-G338 PolarHBondContact O-N 3.04Å
339K80Confident76.7Confident87 Ų8771.3 Ų71.338%0.37842%0.419SS..EExtended strand (participates in β ladder)trans-106.8131.7-173.5-58.7-170.3-176-169.50112.8A272 K335 M336 D337 I341A272-K339 HydrophobicContact CB-CD 4.11Å; K335-K339 CarbonylContact C-O 3.01Å; K335-K339 WeakPolarHBondContact CA-O 3.4Å; M336-K339 PolarHBondContact N-O 3.44Å; M336-K339 PolarHBondContact O-N 3.34Å; D337-K339 PolarHBondContact O-N 3.05Å; K339-I341 PolarHBondContact O-N 2.94Å
340T82.7Confident75Confident60 Ų6079 Ų7937%0.36843%0.43SS..EExtended strand (participates in β ladder)trans-68.3123172.2-450000110.4N270 P333 L334N270-T340 PolarHBondContact ND2-O 3.04Å; P333-T340 HydrophobicContact CB-CG2 3.83Å; P333-T340 HydrophobicContact CG-CG2 3.79Å; L334-T340 WeakPolarHBondContact O-CA 3.01Å
341I87.8Confident73.1Confident13 Ų1386 Ų867%0.06746%0.459CS..PPolyproline II helixtrans-81.4133.3177.7-67.3-175.3000110.1L268 R269 L334 M336 K339 V343L268-I341 HydrophobicContact CB-CG2 4.02Å; L268-I341 HydrophobicContact CD2-CG2 4.08Å; R269-I341 WeakPolarHBondContact O-CA 3.47Å; L334-I341 HydrophobicContact CD2-CB 4.41Å; L334-I341 HydrophobicContact CD2-CD1 4.23Å; L334-I341 PolarHBondContact O-N 3.37Å; M336-I341 HydrophobicContact CB-CD1 3.77Å; M336-I341 HydrophobicContact CB-CG1 4.25Å; M336-I341 HydrophobicContact CG-CD1 3.51Å; M336-I341 HydrophobicContact CG-CG1 4.33Å; K339-I341 PolarHBondContact O-N 2.94Å; I341-V343 HydrophobicContact CG2-CG2 3.96Å
342G85.8Confident71.5Confident35 Ų3582 Ų8236%0.36144%0.444SS..EExtended strand (participates in β ladder)trans-87.9122.3167.400000110.7L268 R269L268-G342 CarbonylContact C-O 3.31Å; R269-G342 PolarHBondContact N-O 3.37Å; R269-G342 PolarHBondContact O-N 2.83Å
343V89.2Confident70.1Confident13 Ų1384.2 Ų84.28%0.07945%0.449CS..EExtended strand (participates in β ladder)trans-111.8127.4-176.9-168.50000110I266 L268 L324 L327 Q328 I341I266-V343 HydrophobicContact CG2-CG1 3.56Å; L268-V343 HydrophobicContact CD2-CB 4.45Å; L268-V343 HydrophobicContact CD2-CG1 3.99Å; L268-V343 HydrophobicContact CD2-CG2 3.95Å; L324-V343 HydrophobicContact CD1-CB 4.16Å; L324-V343 HydrophobicContact CD1-CG1 3.6Å; L327-V343 HydrophobicContact CB-CB 4.41Å; L327-V343 HydrophobicContact CB-CG1 4.29Å; L327-V343 HydrophobicContact CB-CG2 4.05Å; L327-V343 HydrophobicContact CD1-CG1 3.97Å; L327-V343 HydrophobicContact CD1-CG2 4.16Å; Q328-V343 PolarHBondContact NE2-O 3.38Å; I341-V343 HydrophobicContact CG2-CG2 3.96Å
344D87.6Confident68.3Low56 Ų5689 Ų8930%0.29947%0.47SS..EExtended strand (participates in β ladder)trans-151.1160.3-169.9-133.6-13000111.2I266 I267 R269I266-D344 CarbonylContact C-O 3.44Å; I266-D344 WeakPolarHBondContact CA-O 3.41Å; I266-D344 WeakPolarHBondContact CG2-O 3.44Å; I267-D344 HydrophobicContact CG2-CB 3.88Å; I267-D344 PolarHBondContact N-O 3.31Å; I267-D344 PolarHBondContact O-N 2.81Å; I267-D344 VanDerWaalsContact O-N 3.1Å; R269-D344 IonicContact CZ-OD2 2.96Å; R269-D344 IonicContact NH1-OD2 3.73Å; R269-D344 PolarHBondContact NH1-OD2 3.32Å; R269-D344 IonicContact NH2-OD2 3.69Å; R269-D344 PolarHBondContact NH2-OD2 3.07Å
345Y89.7Confident66.4Low86 Ų8695.1 Ų95.134%0.33750%0.502SS..EExtended strand (participates in β ladder)trans-68.3140.8169.9-76.6-71.9000111.8A320 S321 L324 K347A320-Y345 HydrophobicContact CB-CE1 4.46Å; S321-Y345 VanDerWaalsContact CA-OH 3.31Å; S321-Y345 WeakPolarHBondContact CA-OH 3.33Å; S321-Y345 VanDerWaalsContact CB-OH 3.29Å; S321-Y345 WeakPolarHBondContact CB-OH 3.46Å; L324-Y345 HydrophobicContact CD2-CD1 4.43Å; L324-Y345 HydrophobicContact CD2-CD2 3.46Å; L324-Y345 VanDerWaalsContact CD2-CD2 3.46Å; L324-Y345 HydrophobicContact CD2-CE1 4.25Å; L324-Y345 HydrophobicContact CD2-CE2 3.23Å; L324-Y345 HydrophobicContact CD2-CG 4.07Å; Y345-K347 PolarHBondContact O-N 3.45Å
346A83.9Confident64.4Low9 Ų994.9 Ų94.97%0.07451%0.514CS..  trans-76.892.6178.400000111.6A265 I267 F311 S348A265-A346 HydrophobicContact CB-CB 3.77Å; A265-A346 VanDerWaalsContact O-CB 3.3Å; A265-A346 WeakPolarHBondContact O-CB 3.16Å; A265-A346 PolarHBondContact O-N 2.94Å; I267-A346 HydrophobicContact CB-CB 4.31Å; F311-A346 HydrophobicContact CD1-CB 3.82Å; F311-A346 HydrophobicContact CE1-CB 4.05Å; A346-S348 PolarHBondContact O-N 3.03Å; A346-S348 VanDerWaalsContact O-N 3.08Å
347K70Confident62.1Low188 Ų188101.6 Ų101.682%0.81755%0.55SS**  trans-56.8114.3172.9-70.1-177.5178.7175.60110.7Y345 A349Y345-K347 PolarHBondContact O-N 3.45Å; K347-A349 PolarHBondContact O-N 3.44Å
348S53.8Low60.4Low67 Ų67100.5 Ų100.547%0.46956%0.559SS.*  trans-67.5116.8178.8-1800000110.9A346 R350A346-S348 PolarHBondContact O-N 3.03Å; A346-S348 VanDerWaalsContact O-N 3.08Å; S348-R350 PolarHBondContact O-N 3.02Å
349A45.8Very low59Low87 Ų87104.7 Ų104.772%0.71956%0.564SS**THydrogen-bonded Turntrans-67.14.8-17800000115K347K347-A349 PolarHBondContact O-N 3.44Å
350R46.6Very low57.1Low218 Ų218110.6 Ų110.682%0.82358%0.584SS**THydrogen-bonded Turntrans-92.15.2-175-67.8-170.5177-178.30.5115.3S348S348-R350 PolarHBondContact O-N 3.02Å
351K40.9Very low54.9Low186 Ų186114.1 Ų114.181%0.80961%0.605SS**SBendtrans-104.8-17.5-179.3-157.6168.5-177.6-179.40115.3
352D31.8Very low52.7Low105 Ų105116.4 Ų116.456%0.56162%0.622SS**SBendtrans-103.624.5-168-72.111.3000114.1R360D352-R360 IonicContact OD2-CZ 2.78Å; D352-R360 IonicContact OD2-NH1 2.67Å; D352-R360 PolarHBondContact OD2-NH1 3.3Å; D352-R360 IonicContact OD2-NH2 3.14Å
353L38.7Very low50.5Low151 Ų151118.4 Ų118.479%0.79164%0.636SS**SBendtrans-111.227.9-178.3-67.1178.6000114.3
354L38.9Very low48.2Very low167 Ų167125.4 Ų125.487%0.87467%0.665SS**SBendtrans-136.226.1-179.9-72.9177.7000114.3
355L38.2Very low46.6Very low151 Ų151126.2 Ų126.279%0.79168%0.675SS**SBendtrans-137.1147.6165.2-73.2175000109.1
356P36.8Very low44.6Very low125 Ų125126.7 Ų126.781%0.81269%0.687SS**  trans-69.7141.7-178.228.2-34.4000112.4
357D31.9Very low42.4Very low171 Ų171128.6 Ų128.691%0.91470%0.703SS**  trans-70.4128.7-176.7-78.6-64.1000113
358G36.1Very low41.1Very low63 Ų63123 Ų12365%0.64969%0.688SS**  trans-171.914.2-17600000119.5
359N43.3Very low41.1Very low161 Ų161124.6 Ų124.686%0.86170%0.695SS**  trans162.395.5157-90.4-32.2000112.2
360R40.5Very low40.9Very low210 Ų210123.2 Ų123.279%0.79268%0.683SS**  trans-140.958169.6-62.8-172.2103.4-171.17.4113.4D352D352-R360 IonicContact OD2-CZ 2.78Å; D352-R360 IonicContact OD2-NH1 2.67Å; D352-R360 PolarHBondContact OD2-NH1 3.3Å; D352-R360 IonicContact OD2-NH2 3.14Å
361V35.7Very low41.2Very low134 Ų134118 Ų11881%0.81267%0.67SS**  trans-66.3141.7157.2179.50000108.3A363V361-A363 PolarHBondContact O-N 2.92Å; V361-A363 VanDerWaalsContact O-N 3.09Å
362S40.8Very low41.4Very low61 Ų61111.4 Ų111.443%0.42765%0.651SS.*  trans-63.9110.3-169.3-176.70000113.2F364 S365 V366S362-F364 PolarHBondContact O-N 3.4Å; S362-F364 VanDerWaalsContact O-N 3.16Å; S362-F364 PolarHBondContact OG-N 3.46Å; S362-S365 PolarHBondContact O-N 2.88Å; S362-S365 VanDerWaalsContact O-N 3.12Å; S362-V366 PolarHBondContact O-N 2.81Å
363A39.8Very low41.9Very low78 Ų78109.6 Ų109.665%0.64565%0.65SS**Hα-helixtrans-58.2-25171.500000112.9V361 A367V361-A363 PolarHBondContact O-N 2.92Å; V361-A363 VanDerWaalsContact O-N 3.09Å; A363-A367 WeakPolarHBondContact O-CB 3.01Å; A363-A367 PolarHBondContact O-N 3.37Å
364F41.2Very low42.1Very low159 Ų159105.1 Ų105.170%0.69764%0.636SS**Hα-helixtrans-67.5-40.4175.7-112.2-97.8000112.4S362 A367 S368S362-F364 PolarHBondContact O-N 3.4Å; S362-F364 VanDerWaalsContact O-N 3.16Å; S362-F364 PolarHBondContact OG-N 3.46Å; F364-A367 PolarHBondContact O-N 2.82Å; F364-S368 PolarHBondContact O-N 2.79Å; F364-S368 PolarHBondContact O-OG 3.22Å
365S53.4Low42.4Very low73 Ų73103.3 Ų103.351%0.5162%0.623SS.*Hα-helixtrans-65.2-42.4176.8-61.50000111.3S362 A367 S368 T369S362-S365 PolarHBondContact O-N 2.88Å; S362-S365 VanDerWaalsContact O-N 3.12Å; S365-A367 PolarHBondContact O-N 3.24Å; S365-S368 PolarHBondContact O-N 3.16Å; S365-T369 PolarHBondContact O-N 2.92Å; S365-T369 PolarHBondContact O-OG1 3.42Å; S365-T369 VanDerWaalsContact O-OG1 3.07Å
366V48.3Very low42.5Very low96 Ų96107.5 Ų107.558%0.58263%0.628SS**Hα-helixtrans-62.9-43.2177.3-176.30000111.1S362 T369 A370S362-V366 PolarHBondContact O-N 2.81Å; V366-T369 PolarHBondContact O-N 3.42Å; V366-A370 VanDerWaalsContact O-CB 3.32Å; V366-A370 WeakPolarHBondContact O-CB 3.48Å; V366-A370 PolarHBondContact O-N 3.11Å
367A37.6Very low42.6Very low49 Ų49106.6 Ų106.641%0.40563%0.625SS.*Hα-helixtrans-62.4-47.8176.300000112.3A363 F364 S365 T369 A370 I371A363-A367 WeakPolarHBondContact O-CB 3.01Å; A363-A367 PolarHBondContact O-N 3.37Å; F364-A367 PolarHBondContact O-N 2.82Å; S365-A367 PolarHBondContact O-N 3.24Å; A367-T369 PolarHBondContact O-N 3.08Å; A367-A370 PolarHBondContact O-N 2.63Å; A367-I371 VanDerWaalsContact O-CG1 3.31Å; A367-I371 WeakPolarHBondContact O-CG1 3.3Å; A367-I371 PolarHBondContact O-N 2.67Å
368S43.8Very low42.8Very low72 Ų72103.1 Ų103.150%0.50361%0.614SS.*Hα-helixtrans-62.7-40178-62.70000112.8F364 S365 A372F364-S368 PolarHBondContact O-N 2.79Å; F364-S368 PolarHBondContact O-OG 3.22Å; S365-S368 PolarHBondContact O-N 3.16Å; S368-A372 PolarHBondContact O-N 2.95Å; S368-A372 VanDerWaalsContact O-N 3.12Å
369T53.7Low42.9Very low100 Ų100104.3 Ų104.361%0.61362%0.618SS**Hα-helixtrans-68.7-37.5175.7-56.90000112.2S365 V366 A367 A372 A373S365-T369 PolarHBondContact O-N 2.92Å; S365-T369 PolarHBondContact O-OG1 3.42Å; S365-T369 VanDerWaalsContact O-OG1 3.07Å; V366-T369 PolarHBondContact O-N 3.42Å; A367-T369 PolarHBondContact O-N 3.08Å; T369-A372 PolarHBondContact O-N 2.71Å; T369-A373 WeakPolarHBondContact O-CB 3.12Å; T369-A373 PolarHBondContact O-N 2.89Å
370A42Very low42.3Very low58 Ų58105.1 Ų105.148%0.47962%0.616SS.*Hα-helixtrans-66.2-39176.400000112.6V366 A367 A373 A374V366-A370 VanDerWaalsContact O-CB 3.32Å; V366-A370 WeakPolarHBondContact O-CB 3.48Å; V366-A370 PolarHBondContact O-N 3.11Å; A367-A370 PolarHBondContact O-N 2.63Å; A370-A373 PolarHBondContact O-N 2.81Å; A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.83Å
371I51.6Low41.9Very low107 Ų107100.6 Ų100.655%0.54961%0.614SS.*Hα-helixtrans-65.5-45.6175.8-67.7163.3000110.7A367 A373 A374 Q375A367-I371 VanDerWaalsContact O-CG1 3.31Å; A367-I371 WeakPolarHBondContact O-CG1 3.3Å; A367-I371 PolarHBondContact O-N 2.67Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 2.85Å; I371-A374 PolarHBondContact O-N 2.7Å; I371-Q375 PolarHBondContact O-N 3.39Å; I371-Q375 VanDerWaalsContact O-N 3.13Å
372A45.8Very low41.5Very low49 Ų49103.1 Ų103.141%0.40562%0.617SS.*Hα-helixtrans-60.7-40.8176.600000112.4S368 T369S368-A372 PolarHBondContact O-N 2.95Å; S368-A372 VanDerWaalsContact O-N 3.12Å; T369-A372 PolarHBondContact O-N 2.71Å
373A42.6Very low40.8Very low66 Ų66109.6 Ų109.655%0.54564%0.64SS.*Hα-helixtrans-67-36.6175.700000112.8T369 A370 I371 W376T369-A373 WeakPolarHBondContact O-CB 3.12Å; T369-A373 PolarHBondContact O-N 2.89Å; A370-A373 PolarHBondContact O-N 2.81Å; I371-A373 VanDerWaalsContact C-N 3.33Å; I371-A373 PolarHBondContact O-N 2.85Å; A373-W376 PolarHBondContact O-N 3.17Å
374A43.2Very low40.2Very low58 Ų58110.8 Ų110.848%0.47964%0.644SS.*Hα-helixtrans-68.8-32.2178.500000113.2A370 I371 W376 S377A370-A374 WeakPolarHBondContact O-CB 3.41Å; A370-A374 PolarHBondContact O-N 2.83Å; I371-A374 PolarHBondContact O-N 2.7Å; A374-W376 PolarHBondContact O-N 2.97Å; A374-S377 PolarHBondContact O-N 2.72Å; A374-S377 PolarHBondContact O-OG 2.87Å
375Q44.2Very low39.5Very low129 Ų129108.1 Ų108.160%0.60365%0.645SS**Hα-helixtrans-67.8-20.7175.1-70.9-172.9-8300113.3I371I371-Q375 PolarHBondContact O-N 3.39Å; I371-Q375 VanDerWaalsContact O-N 3.13Å
376W39.8Very low38.1Very low238 Ų238112.7 Ų112.790%0.90266%0.664SS**THydrogen-bonded Turntrans-88.92.3-179-7212.3000113.9A373 A374A373-W376 PolarHBondContact O-N 3.17Å; A374-W376 PolarHBondContact O-N 2.97Å
377S38.6Very low37Very low106 Ų106112.1 Ų112.174%0.74168%0.677SS**THydrogen-bonded Turntrans-106.76173.7750000114.6A374A374-S377 PolarHBondContact O-N 2.72Å; A374-S377 PolarHBondContact O-OG 2.87Å
378S37.8Very low36.3Very low99 Ų99117 Ų11769%0.69269%0.694SS**SBendtrans-125.95.9-177.157.80000114.2
379A37.2Very low35.5Very low88 Ų88118.9 Ų118.973%0.72771%0.707SS**  trans-121.867.5-176.300000111.8
380Q30.2Very low34.1Very low178 Ų178120.1 Ų120.183%0.83271%0.706SS**  trans-142.6120.1157.4-167.4170.713.100109.2
381P32.1Very low33.4Very low115 Ų115127 Ų12775%0.74772%0.721SS**  trans-71.5142.3175.929.9-33.7000110.3Q383P381-Q383 PolarHBondContact O-N 2.81Å
382Q27.9Very low32.2Very low186 Ų186126.3 Ų126.387%0.86973%0.731SS**  trans-79.8115.7161.9-67.9-168.1-86.900108.7
383Q27.2Very low31.2Very low197 Ų197129.2 Ų129.292%0.92175%0.747SS**  trans-98.4135.5148.3-79.1-176.7-20.300107.7P381P381-Q383 PolarHBondContact O-N 2.81Å
384S26.3Very low30.5Very low104 Ų104133.1 Ų133.173%0.72776%0.758SS**  trans-140.4106-173.3560000110.7
385S26.4Very low29.7Very low102 Ų102137 Ų13771%0.71377%0.766SS**  trans-168102.4162.454.80000105.8
386D23.8Very low28.7Very low169 Ų169138.4 Ų138.490%0.90477%0.772SS**  93.3136.182.2-77.8-43.3000111.5
387G24.6Very low27.9Very low84 Ų84131.8 Ų131.887%0.86676%0.763SS**  trans15558.6-169.900000112.8
388M24.8Very low27.3Very low152 Ų152137.3 Ų137.375%0.74977%0.769SS**  trans-104.2121.6-178.2178.362.1174.400111.7E390M388-E390 HydrophobicContact CE-CB 4.14Å; M388-E390 HydrophobicContact CE-CG 4.14Å
389S26.2Very low26.5Very low111 Ų111136.3 Ų136.378%0.77677%0.766SS**  trans-162.5132.1155.552.10000107.7
390E24.1Very low26.6Very low127 Ų127137.2 Ų137.259%0.59377%0.765SS**  cis92.1135.310.3-141.4-174.4-152.600117M388M388-E390 HydrophobicContact CE-CB 4.14Å; M388-E390 HydrophobicContact CE-CG 4.14Å
391Y26.8Very low26.3Very low203 Ų203135.9 Ų135.980%0.79676%0.763SS**  trans82.3156.4166.4-77.3-64.7000123.8
392A26.4Very low25.9Very low92 Ų92134.9 Ų134.976%0.7676%0.758SS**  trans67.1133.8-174.600000116.4
393C25.1Very low25.8Very low109 Ų109133.7 Ų133.774%0.73675%0.753SS**SBendcis-157.3157.4-9.9-129.90000107.1
394L27.5Very low25.6Very low149 Ų149130.2 Ų130.278%0.7874%0.741SS**SBendcis-132.9168.914.8-69.7157.8000108.1
395Q26.9Very low25.5Very low140 Ų140134.5 Ų134.565%0.65474%0.742SS**  cis-173.1142.9-25.2-172.8159.8-59.100102.4
396E23.5Very low25.5Very low157 Ų157136.4 Ų136.473%0.73474%0.74SS**  -170.9166.165.4-158135.7-11600111.9
397S22.6Very low25.5Very low100 Ų100132.8 Ų132.870%0.69972%0.724SS**  trans-60.9172.5-179.4500000116.7
398Y25.2Very low25.6Very low221 Ų221138.4 Ų138.487%0.86772%0.721SS**  cis-154.9175.515.6-157.1-115.3000111.8
399A22.5Very low25.6Very low78 Ų78140.6 Ų140.665%0.64572%0.722SS**  trans-93.8-167177.400000112.1
400P38.4Very low25.7Very low107 Ų107142.8 Ų142.870%0.69572%0.72SS**  cis-149.1-164.331.444.2-21.1000118
401L24.4Very low25.7Very low151 Ų151146.5 Ų146.579%0.79174%0.737SS**  trans68.8117.3168.6-91.256000117.1
402S23.6Very low25.7Very low93 Ų93139.9 Ų139.965%0.6573%0.73SS**  75.2141.771.5960000113.6
403Q25.5Very low25.5Very low161 Ų161142.4 Ų142.475%0.75274%0.737SS**  cis-151.5156.224.3-106.7173.6-73.400113.6
404D24Very low25.5Very low124 Ų124142 Ų14266%0.66374%0.741SS**  trans54.8136137.8-53.8-26.4000126.2
405Y23.8Very low25.4Very low195 Ų195140.1 Ų140.177%0.76575%0.747SS**  trans46.9120147.4-95.5-113.1000121.2
406Q25.5Very low25.4Very low141 Ų141138.8 Ų138.866%0.65975%0.753SS**  cis89.814045.1-155-149.76800114.8
407T25.1Very low25.4Very low94 Ų94137.9 Ų137.958%0.57776%0.758SS**  trans99.2116.6141.4-86.80000123
408Y26.2Very low25.5Very low202 Ų202139.1 Ų139.179%0.79277%0.765SS**  trans71.8155.8141.8-89.1-120.8000124.2
409Y23.6Very low25.5Very low198 Ų198138 Ų13878%0.77677%0.768SS**  -173.9160.2128-93.5-47.9000110.1
410H29.4Very low25.6Very low157 Ų157137.9 Ų137.973%0.72778%0.775SS**  cis-147.6151.94.7-86.2-61.5000111.9
411Q24Very low25Very low204 Ų204141 Ų14195%0.95379%0.786SS**  trans-176.7143.7135.9-101.4175.62200107.7
412G26.3Very low25.2Very low64 Ų64136.9 Ų136.966%0.6678%0.779SS**  cis-174.7-179.4-7.400000112.7
413T23Very low25.6Very low146 Ų146140.3 Ų140.390%0.89679%0.788SS**  trans64112.9165.752.70000122.7
414A25.3Very low26Very low101 Ų101140.5 Ų140.584%0.83579%0.794SS**  89.9154.2125.500000123.4
415A24.2Very low26.2Very low108 Ų108137.9 Ų137.989%0.89380%0.796SS**  trans81.7144.2172.900000118.9
416S28.1Very low26.6Very low112 Ų112132.2 Ų132.278%0.78380%0.797SS**  trans-112158.1-165.2-47.70000113.4
417T23.5Very low26.7Very low138 Ų138135.3 Ų135.385%0.84781%0.808SS**  157.8120.8115-670000112.8
418C24.1Very low26.7Very low126 Ų126138.5 Ų138.585%0.85182%0.821SS**  -177.5169.812860.60000111.1
419Q24.2Very low28Very low198 Ų198134.4 Ų134.493%0.92582%0.819SS**  trans-109.3153.6-177.2-62.5164-66.500111.2
420G25Very low28Very low76 Ų76133.7 Ų133.778%0.78482%0.821SS**  trans-165.3113.6171.500000112.9
421N27Very low27.8Very low173 Ų173135 Ų13593%0.92583%0.825SS**  trans-75.2160.6172.7-59.6-32.4000110.2
422G26.9Very low29.2Very low63 Ų63130 Ų13065%0.64981%0.809SS**  cis162.4-150.34.600000109.3
423I31.9Very low29.5Very low165 Ų165133 Ų13385%0.84682%0.815SS**  trans71120.5161.3-61.2169000114.5
424L34.5Very low30.1Very low166 Ų166132.5 Ų132.587%0.86981%0.806SS**  cis-151.2-178.20.9-98.8163.8000107.8
425G29.1Very low30.3Very low69 Ų69134 Ų13471%0.71180%0.8SS**  cis113123.9600000112.8
426G30.9Very low30.8Very low76 Ų76135.5 Ų135.578%0.78479%0.789SS**  cis170.6-1543.100000113.7
427K29.3Very low31.1Very low205 Ų205135.6 Ų135.689%0.89178%0.779SS**  trans90.987173.4-62-173.1174.8-178.30120.7
428L25.1Very low31.4Very low162 Ų162137.8 Ų137.885%0.84878%0.777SS**  23161.4103.2-66.7178.6000121
429P52.7Low31.7Very low115 Ų115137.6 Ų137.675%0.74777%0.772SS**  cis-120.7-171.115.440.8-23.8000114
430F23.1Very low31.8Very low184 Ų184136 Ų13681%0.80777%0.769SS**  cis-160.6165.131.3-175.4-103.4000112.4
431F25.5Very low31.9Very low185 Ų185136.7 Ų136.781%0.81177%0.767SS**  trans-149.3152.7-174-109.9-63.7000113.9
432P53.8Low31.9Very low98 Ų98133.2 Ų133.264%0.63676%0.762SS**  -144.8179.3128.340.9-26.9000112
433T32.2Very low33Very low126 Ų126136.6 Ų136.677%0.77377%0.772SS**  cis-175.6150.2-27.435.60000106.7
434L36.5Very low32.8Very low136 Ų136132 Ų13271%0.71277%0.766SS**  cis-164.1-134.4-21.3-144.6177.5000107.9
435D28.1Very low32.5Very low133 Ų133131.5 Ų131.571%0.71177%0.769SS**  trans56.1137.5159.7-62.93.8000123.3
436H35.2Very low32.3Very low140 Ų140137.2 Ų137.265%0.64878%0.775SS**  cis175.4162.8-29.2-109.828.2000109.1
437I34.9Very low32Very low113 Ų113141.8 Ų141.858%0.57978%0.78SS**  cis-174.5155-23.3-170.5171.2000110.5
438K29.7Very low32.2Very low185 Ų185137.7 Ų137.780%0.80477%0.772SS**  trans112.5160160.1-70.4162.2-177.2170.60118.7
439V29.7Very low33.3Very low122 Ų122135.2 Ų135.274%0.73977%0.766SS**  172.6162.3-68.31590000110.7
440L27.7Very low32.2Very low165 Ų165134.5 Ų134.586%0.86477%0.769SS**  trans104165.3169.6-56.6180000118.7
441A26.9Very low32.4Very low90 Ų90129.9 Ų129.974%0.74477%0.765SS**  -173.5124.8-97.400000116.4
442A27.3Very low32.5Very low100 Ų100127.5 Ų127.583%0.82677%0.765SS**  trans54-177.7154.400000120
443P48.6Very low31.3Very low133 Ų133128.5 Ų128.586%0.86477%0.77SS**  cis-133.7178.1-1941.6-26000116.1
444G27.3Very low31.2Very low70 Ų70129.8 Ų129.872%0.72277%0.77SS**  trans139.5128137.700000123.8
445V28.9Very low30.8Very low154 Ų154127.2 Ų127.293%0.93376%0.763SS**  trans82.3158.4149.7-167.10000119.7
446K25.6Very low30.9Very low190 Ų190129 Ų12983%0.82677%0.767SS**  trans-138.6160.6-157.6-49.5172.6-178.8176.40114.5
447L25.2Very low30.6Very low172 Ų172127.4 Ų127.490%0.90177%0.772SS**  trans-162.3176.9138.8-104.9161.6000111.9
448V31.7Very low30.4Very low118 Ų118127.9 Ų127.972%0.71578%0.783SS**  trans-155.7159-142.7177.90000111.4
449P49.8Very low30.3Very low111 Ų111127.9 Ų127.972%0.72179%0.786SS**  cis-137.7-170.7-25.941.2-23000116.9
450A29.2Very low30.1Very low99 Ų99128.1 Ų128.182%0.81879%0.787SS**  trans74.6148.114700000120
451A25.9Very low29.9Very low87 Ų87129.7 Ų129.772%0.71978%0.783SS**  cis-142.1146.23.400000109.7
452V27.6Very low29.7Very low135 Ų135132.5 Ų132.582%0.81878%0.78SS**  73.7124.256.7160.60000111.6
453V28.9Very low30Very low120 Ų120133.1 Ų133.173%0.72778%0.776SS**  cis-159.2167.810.6114.30000114.9
454I30.2Very low29Very low153 Ų153136 Ų13679%0.78578%0.778SS**  trans-37.8175163.2-1.2177.4000116.8
455S29.1Very low29.3Very low81 Ų81140.6 Ų140.657%0.56678%0.784SS**  cis-168.4167.514.265.80000117.3
456Q30.4Very low29.3Very low170 Ų170141 Ų14179%0.79478%0.779SS**  trans84.5127.6136.2-85.6174.5111.400125
457S27.3Very low29.5Very low107 Ų107135.8 Ų135.875%0.74877%0.772SS**  trans55.7148.6140.659.50000124
458P32.1Very low30.2Very low123 Ų123133.4 Ų133.480%0.79977%0.766SS**  trans-101.3164.1-175.240.1-35.8000115
459Q27.2Very low30.5Very low186 Ų186133.8 Ų133.887%0.86977%0.771SS**  trans-123.4166.6168.9-86.8-71.45.700111.7
460V24.8Very low29.4Very low127 Ų127133.2 Ų133.277%0.7778%0.776SS**  trans-94.5138.5179.8-179.40000110.4
461Y23.3Very low29.6Very low197 Ų197135 Ų13577%0.77378%0.777SS**  170141.6124.1-149.1-107.8000113.6
462Q22.7Very low29.7Very low149 Ų149138.8 Ų138.870%0.69678%0.78SS**  trans5.5160.1167.9-68.4-160.1-2.500125.4
463P34.5Very low29.8Very low114 Ų114139.6 Ų139.674%0.7477%0.774SS**  trans-90.5160.6-175.737.6-37000114.8
464H27Very low29.8Very low194 Ų194140.8 Ų140.890%0.89878%0.776SS**  trans-132.9154.1164.7-104.2-93.8000111.8
465I34.6Very low29.5Very low165 Ų165141.7 Ų141.785%0.84678%0.777SS**  trans-99.3129.4-172.2-57.9165.6000110.5
466I27.9Very low29.4Very low163 Ų163142.7 Ų142.784%0.83679%0.79SS**  trans-140.7144.3164.3-58.7-173.9000109.3
467A30.8Very low29Very low81 Ų81143.1 Ų143.167%0.66979%0.789SS**PPolyproline II helixtrans-93158.5179.600000112.9
468P38.5Very low29.5Very low121 Ų121143.7 Ų143.779%0.78679%0.79SS**PPolyproline II helixtrans-76.2144.8177.931.1-35.3000113.1
469P38.6Very low29.2Very low126 Ų126145.8 Ų145.882%0.81879%0.789SS**PPolyproline II helixtrans-87.8169.4177.936.1-36.2000113.7
470A27.6Very low30Very low99 Ų99142.7 Ų142.782%0.81879%0.786SS**PPolyproline II helixtrans-97.8165.4177.100000113.2
471V32Very low30Very low138 Ų138139.9 Ų139.984%0.83678%0.782SS**  trans-134.9150.2175.2-178.20000111.1
472Q29.2Very low30.3Very low166 Ų166138.9 Ų138.978%0.77679%0.789SS**  trans-70.5171.3-177.8-75.8160.4-55.100114.4
473Q30Very low30.5Very low151 Ų151136.6 Ų136.671%0.70680%0.796SS**  cis-178.5-170.3-15.2176.9166.5-11.100107.6
474L28.3Very low30Very low145 Ų145135.8 Ų135.876%0.75980%0.799SS**  trans89.6140.2169.4-52.2171.7000116.1
475E24.8Very low30.2Very low172 Ų172132.9 Ų132.980%0.80479%0.794SS**  cis-163.9175.7-17.2-132.2-176.6152.900113.8
476A26.5Very low29.8Very low102 Ų102133.6 Ų133.684%0.84379%0.794SS**  trans73.6153.7159.800000121.2
477K22.4Very low29.9Very low179 Ų179130.5 Ų130.578%0.77879%0.787SS**  trans-159.9137.7-161.8163.8-170.3159.4-169.10114.1
478P36.9Very low29.7Very low119 Ų119133.2 Ų133.277%0.77380%0.795SS**  trans-115.8-163.4164.639.5-28.4000114.1
479Q26.3Very low29.1Very low168 Ų168131.9 Ų131.979%0.78579%0.794SS**  trans-158-179.2179.9-95.6-168.8-13.700109.8
480P42.8Very low28.6Very low121 Ų121133.9 Ų133.979%0.78680%0.797SS**  cis-120.8-164.8-0.543.9-29.7000112.5
481G26.3Very low29.6Very low67 Ų67134.6 Ų134.669%0.69179%0.793SS**  cis121.4105-12.200000116.5
482L27.8Very low29.3Very low176 Ų176132.1 Ų132.192%0.92179%0.787SS**  trans-150.8137.2168.5-89.3179.1000113.3
483A27Very low29.1Very low102 Ų102132 Ų13284%0.84379%0.791SS**  trans27152.5151.400000122.7
484A25.9Very low28.9Very low97 Ų97129 Ų12980%0.80279%0.792SS**  cis-146.8-158.68.900000112.4
485V29.5Very low28.9Very low133 Ų133128.5 Ų128.581%0.80680%0.795SS**  trans-139.1167.3-163.4-146.30000113.1
486E27.4Very low29Very low180 Ų180124.7 Ų124.784%0.84179%0.793SS**  trans70.4161.9163.2-65-178.5158.600118.8
487S28.9Very low29Very low97 Ų97124.3 Ų124.368%0.67879%0.79SS**  cis-164.4155.6-38.466.40000111.9
488V26.6Very low29.3Very low139 Ų139119.6 Ų119.684%0.84278%0.784SS**  trans59.7140.8150.1171.50000122.5
489A25.4Very low29Very low93 Ų93122.4 Ų122.477%0.76979%0.787SS**  trans90.2148.4156.900000122.8
490L29.4Very low29.1Very low168 Ų168120.2 Ų120.288%0.8879%0.785SS**  trans-114.9177.8171.4-70.5172.8000107.6
491P47.8Very low28.5Very low114 Ų114122.5 Ų122.574%0.7479%0.79SS**  cis-144.817615.644.3-24.9000118.7
492A26.3Very low28.7Very low85 Ų85122.4 Ų122.470%0.70279%0.79SS**  trans45.9129.6142.800000123.1
493L25.1Very low28.8Very low164 Ų164118.7 Ų118.786%0.85978%0.784SS**  -176.1131.9102.6-101169.1000114.7
494A26.2Very low28.7Very low89 Ų89119.8 Ų119.874%0.73679%0.786SS**  trans56.7162.7148.400000119.4
495V27.6Very low28.9Very low134 Ų134119.7 Ų119.781%0.81278%0.784SS**  cis-138.8150.819.31690000111.8
496A26.6Very low29Very low92 Ų92119.8 Ų119.876%0.7679%0.785SS**  trans-8.6163.4156.100000121.2
497A27.4Very low30Very low94 Ų94117.2 Ų117.278%0.77778%0.784SS**  cis-173.3-169.1-12.700000106.6
498A28.7Very low29.9Very low80 Ų80117.4 Ų117.466%0.66179%0.792SS**  cis-154.7141.111.700000109.2
499Q29.1Very low29.9Very low178 Ų178116 Ų11683%0.83279%0.794SS**  73.3148.984.8-68-153.7-18.700115.5
500V28.4Very low29.9Very low122 Ų122115.1 Ų115.174%0.73979%0.794SS**  cis-158168-13.4122.70000109
501N32Very low31Very low168 Ų168113.6 Ų113.690%0.89880%0.795SS**  trans-126.9142.6170.2-1537.8000110.7
502G28.8Very low30Very low66 Ų66113.3 Ų113.368%0.6880%0.802SS**  trans128.3176175.700000115.7
503A31.3Very low30Very low98 Ų98113.7 Ų113.781%0.8181%0.805SS**  cis-170.1165.4-14.900000110.5
504S25Very low30Very low125 Ų125114.7 Ų114.787%0.87481%0.805SS**  trans-174.6153165-82.30000109.8
505A29.6Very low30Very low94 Ų94116.3 Ų116.378%0.77781%0.811SS**  cis-161.8171.3-19.500000108.7
506V31.7Very low30.2Very low135 Ų135116.9 Ų116.982%0.81882%0.815SS**  trans-138.9139.4-168.2174.50000110.8
507P47.3Very low30.2Very low127 Ų127117.5 Ų117.583%0.82581%0.814SS**  -152.4133.1114.535.8-15.9000119
508A27.5Very low30.2Very low101 Ų101118.2 Ų118.284%0.83582%0.82SS**  trans24.6135.2139.700000125.4
509A26.3Very low30.3Very low108 Ų108120.5 Ų120.589%0.89383%0.826SS**  trans-161.6168.3139.900000112.1
510G26Very low30.4Very low75 Ų75121.1 Ų121.177%0.77383%0.829SS**  trans-99.8-168.3-167.900000118.4
511P53.2Low30.5Very low137 Ų137124.1 Ų124.189%0.8984%0.837SS**  trans-112.4161.7-140.240.7-36.4000117.9
512A25.8Very low30.5Very low108 Ų108124.1 Ų124.189%0.89383%0.834SS**  trans-147.9171.516200000110.1
513A27.1Very low30.7Very low92 Ų92125.5 Ų125.576%0.7683%0.833SS**  trans-114.4171.2-15800000116.7
514E24.3Very low30.8Very low185 Ų185132 Ų13286%0.86484%0.836SS**  trans59.1105158.2-68.1179.5177.500120.4
515S27.1Very low31.7Very low124 Ų124128.1 Ų128.187%0.86781%0.809SS**  -173.5162.4105.436.10000111.5
516T31.6Very low32.9Very low145 Ų145128.6 Ų128.689%0.8981%0.806SS**  trans-88126.1-166.650.50000114.3
517S26.1Very low33.7Very low106 Ų106127.6 Ų127.674%0.74180%0.796SS**  trans-140.697.2160.760.90000110.8T519S517-T519 PolarHBondContact O-N 3Å
518A27.8Very low34.5Very low109 Ų109123 Ų12390%0.90177%0.766SS**  trans-75.3108.5172.900000109.5
519T30.8Very low36.3Very low127 Ų127122.4 Ų122.478%0.77975%0.749SS**  trans-14479.5175.2-58.80000109.5S517S517-T519 PolarHBondContact O-N 3Å
520E29.9Very low38.2Very low192 Ų192120.9 Ų120.990%0.89773%0.729SS**  trans-166.395156.2-119.4175.4-158.500111.5
521M30.9Very low40.2Very low185 Ų185121.9 Ų121.991%0.91172%0.724SS**  trans172.5100.7134.2-97.2-165.4174.300109.4
522M33.1Very low41.1Very low168 Ų168119 Ų11983%0.82870%0.703SS**  trans-131.9105151.6-164.863.4176.700107.4
523S31.7Very low43.8Very low94 Ų94114.6 Ų114.666%0.65766%0.664SS**  trans-58.2148.9176.3-63.30000110.3C525S523-C525 PolarHBondContact O-N 2.82Å
524R34.7Very low46.4Very low234 Ų234116.8 Ų116.888%0.88366%0.658SS**  trans-61.3106.8172.8-62.5177.4-172155.93.2108.6
525C43.6Very low49.2Very low45 Ų45113.2 Ų113.230%0.30464%0.638SS.*PPolyproline II helixtrans-69.2133.8179.8-72.60000110.6S523 W569S523-C525 PolarHBondContact O-N 2.82Å; C525-W569 HydrophobicContact CB-CH2 4.16Å
526S54.6Low51.7Low104 Ų104109.1 Ų109.173%0.72761%0.606SS**PPolyproline II helixtrans-53158.6165.4-57.30000111P528S526-P528 WeakPolarHBondContact O-CD 3.45Å
527L49.1Very low53.9Low114 Ų114110.5 Ų110.560%0.59760%0.602SS**PPolyproline II helixtrans-54.3123.4168.8-70.7174.9000109.3D529 W569L527-D529 PolarHBondContact O-N 3.45Å; L527-W569 HydrophobicContact CD2-CZ2 4.18Å
528P63Low56.2Low30 Ų30110.8 Ų110.820%0.19560%0.604CS.*PPolyproline II helixtrans-63.5120.8-176.4-23.333000111.1S526 T530 Y533 W569 Y576S526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-T530 PolarHBondContact O-N 3.41Å; P528-Y533 WeakPolarHBondContact CB-OH 3.49Å; P528-W569 VanDerWaalsContact CD-CE2 3.42Å; P528-W569 VanDerWaalsContact CD-CZ2 3.45Å; P528-W569 HydrophobicContact CG-CD2 3.89Å; P528-W569 HydrophobicContact CG-CE3 3.81Å; P528-W569 HydrophobicContact CG-CH2 4.05Å; P528-W569 HydrophobicContact CG-CZ2 4.16Å; P528-W569 HydrophobicContact CG-CZ3 3.89Å; P528-Y576 WeakPolarHBondContact CG-OH 3.22Å
529D65.2Low58.4Low89 Ų89107.7 Ų107.748%0.47658%0.576SS.*  trans-85.899.3-178.3-168.5-23.3000110.2L527 S531 T532L527-D529 PolarHBondContact O-N 3.45Å; D529-S531 PolarHBondContact O-N 3.37Å; D529-S531 VanDerWaalsContact OD1-CB 3.28Å; D529-S531 WeakPolarHBondContact OD1-CB 3.35Å; D529-S531 PolarHBondContact OD1-N 2.93Å; D529-S531 PolarHBondContact OD1-OG 2.88Å; D529-S531 PolarHBondContact OD2-OG 3.34Å; D529-T532 HydrophobicContact CB-CG2 4.31Å; D529-T532 PolarHBondContact O-N 2.88Å; D529-T532 PolarHBondContact O-OG1 3.26Å
530T66.4Low60.7Low76 Ų76103.4 Ų103.447%0.46656%0.557SS.*THydrogen-bonded Turntrans-56.9-12.7177.754.50000114.7P528 T532 Y533 Y551P528-T530 PolarHBondContact O-N 3.41Å; T530-T532 VanDerWaalsContact C-N 3.33Å; T530-Y533 HydrophobicContact CG2-CD2 4.41Å; T530-Y533 HydrophobicContact CG2-CE2 3.79Å; T530-Y551 HydrophobicContact CG2-CE1 4.29Å
531S69.3Low63.2Low96 Ų9699 Ų9967%0.67153%0.533SS*.THydrogen-bonded Turntrans-80-12.5173.372.20000113.8D529D529-S531 PolarHBondContact O-N 3.37Å; D529-S531 VanDerWaalsContact OD1-CB 3.28Å; D529-S531 WeakPolarHBondContact OD1-CB 3.35Å; D529-S531 PolarHBondContact OD1-N 2.93Å; D529-S531 PolarHBondContact OD1-OG 2.88Å; D529-S531 PolarHBondContact OD2-OG 3.34Å
532T70.6Confident65.7Low75 Ų7594.4 Ų94.446%0.4651%0.506SS..SBendtrans-96-4.2179.662.20000113.9D529 T530D529-T532 HydrophobicContact CB-CG2 4.31Å; D529-T532 PolarHBondContact O-N 2.88Å; D529-T532 PolarHBondContact O-OG1 3.26Å; T530-T532 VanDerWaalsContact C-N 3.33Å
533Y83.6Confident68.2Low16 Ų1690.2 Ų90.26%0.06348%0.482CS..PPolyproline II helixtrans-77.5137.9-179.1-56.2-16.2000112.1P528 T530 Y543 D544 Y551 Y558P528-Y533 WeakPolarHBondContact CB-OH 3.49Å; T530-Y533 HydrophobicContact CG2-CD2 4.41Å; T530-Y533 HydrophobicContact CG2-CE2 3.79Å; Y533-Y543 WeakPolarHBondContact CA-O 3.45Å; Y533-D544 HydrophobicContact CD1-CB 3.64Å; Y533-D544 HydrophobicContact CE1-CB 3.63Å; Y533-D544 VanDerWaalsContact CE1-CG 3.49Å; Y533-D544 HydrophobicContact CG-CB 4.33Å; Y533-Y551 AromaticContact CD2-CD1 3.97Å; Y533-Y551 HydrophobicContact CD2-CD1 3.97Å; Y533-Y551 HydrophobicContact CD2-CG 4.14Å; Y533-Y551 HydrophobicContact CE2-CD1 4.01Å; Y533-Y551 AromaticContact CE2-CG 3.87Å; Y533-Y551 HydrophobicContact CE2-CG 3.87Å; Y533-Y558 AromaticContact CE2-CE1 3.95Å; Y533-Y558 HydrophobicContact CE2-CE1 3.95Å; Y533-Y558 AromaticContact CZ-CE1 3.96Å; Y533-Y558 WeakPolarHBondContact OH-CE1 3.37Å; Y533-Y558 PolarHBondContact OH-OH 3.48Å; Y533-Y558 VanDerWaalsContact OH-OH 3.12Å
534Q80.8Confident70.7Confident139 Ų13986 Ų8665%0.6545%0.452SS*.EExtended strand (participates in β ladder)trans-94.1123.4-179.8-169.5163.66.600110D536 Y543Q534-D536 PolarHBondContact O-N 3.5Å; Q534-Y543 PolarHBondContact N-O 2.94Å; Q534-Y543 PolarHBondContact O-N 3.26Å
535Y84Confident72.5Confident110 Ų11078.4 Ų78.443%0.43143%0.433SS..EExtended strand (participates in β ladder)trans-69.2128176.4-175.9-109.7000110.7E537 Y542Y535-E537 HydrophobicContact CD1-CG 3.99Å; Y535-E537 HydrophobicContact CE1-CB 4.42Å; Y535-E537 HydrophobicContact CE1-CG 3.93Å; Y535-Y542 HydrophobicContact CD2-CD1 4.44Å; Y535-Y542 AromaticContact CD2-CD2 3.77Å; Y535-Y542 HydrophobicContact CD2-CD2 3.77Å; Y535-Y542 HydrophobicContact CD2-CE1 4.22Å; Y535-Y542 AromaticContact CD2-CE2 3.5Å; Y535-Y542 HydrophobicContact CD2-CE2 3.5Å; Y535-Y542 HydrophobicContact CD2-CG 4.24Å; Y535-Y542 AromaticContact CD2-CZ 3.76Å; Y535-Y542 HydrophobicContact CE2-CD2 4.41Å; Y535-Y542 HydrophobicContact CE2-CE2 4.05Å; Y535-Y542 HydrophobicContact CG-CE1 4.48Å; Y535-Y542 HydrophobicContact CG-CE2 4.46Å
536D79.9Confident73.7Confident38 Ų3884.2 Ų84.220%0.20346%0.456CS..EExtended strand (participates in β ladder)trans-103106175166.721.2000109.4Q534 S538 S539 G540 Y541 Y550Q534-D536 PolarHBondContact O-N 3.5Å; D536-S538 PolarHBondContact O-N 3.5Å; D536-S538 VanDerWaalsContact O-N 3.15Å; D536-S538 WeakPolarHBondContact OD1-CB 3.45Å; D536-S538 PolarHBondContact OD1-N 3.49Å; D536-S538 PolarHBondContact OD1-OG 2.97Å; D536-S538 PolarHBondContact OD2-OG 3.28Å; D536-S539 VanDerWaalsContact CG-OG 3.24Å; D536-S539 PolarHBondContact O-N 2.9Å; D536-S539 VanDerWaalsContact OD2-CB 3.24Å; D536-S539 WeakPolarHBondContact OD2-CB 3.37Å; D536-S539 PolarHBondContact OD2-OG 2.74Å; D536-G540 PolarHBondContact O-N 3.21Å; D536-Y541 PolarHBondContact N-O 2.8Å; D536-Y550 HydrophobicContact CB-CE1 4.42Å
537E77.8Confident74.6Confident173 Ų17381.8 Ų81.881%0.80844%0.436SS*.THydrogen-bonded Turntrans-61.7-21.2-179.1-57.5-167.4136.200113.4Y535Y535-E537 HydrophobicContact CD1-CG 3.99Å; Y535-E537 HydrophobicContact CE1-CB 4.42Å; Y535-E537 HydrophobicContact CE1-CG 3.93Å
538S74.2Confident76.1Confident112 Ų11277.3 Ų77.378%0.78342%0.418SS*.THydrogen-bonded Turntrans-81.6-28.3-178.576.60000113.5D536D536-S538 PolarHBondContact O-N 3.5Å; D536-S538 VanDerWaalsContact O-N 3.15Å; D536-S538 WeakPolarHBondContact OD1-CB 3.45Å; D536-S538 PolarHBondContact OD1-N 3.49Å; D536-S538 PolarHBondContact OD1-OG 2.97Å; D536-S538 PolarHBondContact OD2-OG 3.28Å
539S73.6Confident77.2Confident45 Ų4576.3 Ų76.332%0.31541%0.411SS..THydrogen-bonded Turntrans-105.2-21.6177.865.30000113.7D536 Y541 Y550D536-S539 VanDerWaalsContact CG-OG 3.24Å; D536-S539 PolarHBondContact O-N 2.9Å; D536-S539 VanDerWaalsContact OD2-CB 3.24Å; D536-S539 WeakPolarHBondContact OD2-CB 3.37Å; D536-S539 PolarHBondContact OD2-OG 2.74Å; S539-Y541 VanDerWaalsContact C-N 3.31Å; S539-Y541 WeakPolarHBondContact O-CD2 3.35Å; S539-Y541 WeakPolarHBondContact O-CE2 3.29Å; S539-Y550 WeakPolarHBondContact OG-CE1 3.44Å
540G78.6Confident78.2Confident36 Ų3674.7 Ų74.737%0.37140%0.398SS..THydrogen-bonded Turntrans78.512.2-178.100000114.2D536D536-G540 PolarHBondContact O-N 3.21Å
541Y82.4Confident79.1Confident100 Ų10072.6 Ų72.639%0.39238%0.382SS..EExtended strand (participates in β ladder)trans-120166.7-178.8-59.1-68000111.2D536 S539 D552D536-Y541 PolarHBondContact N-O 2.8Å; S539-Y541 VanDerWaalsContact C-N 3.31Å; S539-Y541 WeakPolarHBondContact O-CD2 3.35Å; S539-Y541 WeakPolarHBondContact O-CE2 3.29Å; Y541-D552 HydrophobicContact CD1-CB 3.74Å; Y541-D552 HydrophobicContact CE1-CB 3.83Å
542Y84.4Confident79.8Confident89 Ų8969.6 Ų69.635%0.34936%0.359SS..EExtended strand (participates in β ladder)trans-94.6113.1177.9-76.9-102.1000109.6Y535 Y551 P553Y535-Y542 HydrophobicContact CD2-CD1 4.44Å; Y535-Y542 AromaticContact CD2-CD2 3.77Å; Y535-Y542 HydrophobicContact CD2-CD2 3.77Å; Y535-Y542 HydrophobicContact CD2-CE1 4.22Å; Y535-Y542 AromaticContact CD2-CE2 3.5Å; Y535-Y542 HydrophobicContact CD2-CE2 3.5Å; Y535-Y542 HydrophobicContact CD2-CG 4.24Å; Y535-Y542 AromaticContact CD2-CZ 3.76Å; Y535-Y542 HydrophobicContact CE2-CD2 4.41Å; Y535-Y542 HydrophobicContact CE2-CE2 4.05Å; Y535-Y542 HydrophobicContact CG-CE1 4.48Å; Y535-Y542 HydrophobicContact CG-CE2 4.46Å; Y542-Y551 PolarHBondContact N-O 3.1Å; Y542-Y551 PolarHBondContact O-N 3.27Å; Y542-P553 HydrophobicContact CD2-CG 3.42Å; Y542-P553 VanDerWaalsContact CD2-CG 3.42Å; Y542-P553 HydrophobicContact CE2-CG 3.57Å; Y542-P553 HydrophobicContact CG-CG 4.41Å
543Y85.3Confident80Confident79 Ų7968.9 Ų68.931%0.3136%0.356SS..EExtended strand (participates in β ladder)trans-83.7133.9177.5179.5-109000111Y533 Q534 P545 Y550Y533-Y543 WeakPolarHBondContact CA-O 3.45Å; Q534-Y543 PolarHBondContact N-O 2.94Å; Q534-Y543 PolarHBondContact O-N 3.26Å; Y543-P545 HydrophobicContact CD1-CG 4.2Å; Y543-P545 HydrophobicContact CE1-CB 4.28Å; Y543-P545 HydrophobicContact CE1-CG 4.22Å; Y543-P545 WeakPolarHBondContact O-CD 3.35Å; Y543-Y550 HydrophobicContact CD2-CD1 4.26Å; Y543-Y550 AromaticContact CD2-CD2 3.85Å; Y543-Y550 HydrophobicContact CD2-CD2 3.85Å; Y543-Y550 AromaticContact CD2-CE1 3.98Å; Y543-Y550 HydrophobicContact CD2-CE1 3.98Å; Y543-Y550 AromaticContact CD2-CE2 3.52Å; Y543-Y550 HydrophobicContact CD2-CE2 3.52Å; Y543-Y550 HydrophobicContact CD2-CG 4.23Å; Y543-Y550 AromaticContact CD2-CZ 3.62Å; Y543-Y550 HydrophobicContact CE2-CD2 4.38Å; Y543-Y550 AromaticContact CE2-CE2 3.9Å; Y543-Y550 HydrophobicContact CE2-CE2 3.9Å; Y543-Y550 HydrophobicContact CG-CE1 4.36Å
544D84.1Confident79.7Confident6 Ų675.5 Ų75.53%0.03239%0.392CS..  trans-99.6110.1170.9178.65.2000110.7Y533 Q546 T547 G548 L549Y533-D544 HydrophobicContact CD1-CB 3.64Å; Y533-D544 HydrophobicContact CE1-CB 3.63Å; Y533-D544 VanDerWaalsContact CE1-CG 3.49Å; Y533-D544 HydrophobicContact CG-CB 4.33Å; D544-Q546 PolarHBondContact O-N 2.73Å; D544-Q546 WeakPolarHBondContact OD1-CB 3.48Å; D544-Q546 PolarHBondContact OD1-N 3.34Å; D544-T547 WeakPolarHBondContact CB-OG1 3.45Å; D544-T547 VanDerWaalsContact CG-OG1 3.25Å; D544-T547 PolarHBondContact O-N 3.27Å; D544-T547 WeakPolarHBondContact OD2-CB 3.17Å; D544-T547 VanDerWaalsContact OD2-CG2 3.25Å; D544-T547 WeakPolarHBondContact OD2-CG2 3.41Å; D544-T547 PolarHBondContact OD2-N 3.05Å; D544-T547 PolarHBondContact OD2-OG1 2.83Å; D544-G548 WeakPolarHBondContact O-CA 3.14Å; D544-G548 PolarHBondContact O-N 3.47Å; D544-L549 PolarHBondContact N-O 3.3Å
545P72.1Confident79.6Confident75 Ų7571.2 Ų71.249%0.48738%0.377SS..THydrogen-bonded Turntrans-64.1-17.6177.1-21.434000114.9Y543Y543-P545 HydrophobicContact CD1-CG 4.2Å; Y543-P545 HydrophobicContact CE1-CB 4.28Å; Y543-P545 HydrophobicContact CE1-CG 4.22Å; Y543-P545 WeakPolarHBondContact O-CD 3.35Å
546Q69.8Low79.3Confident167 Ų16772.4 Ų72.478%0.7839%0.387SS*.THydrogen-bonded Turntrans-89.2-33.7-177.5-57-171.120.700112.8D544D544-Q546 PolarHBondContact O-N 2.73Å; D544-Q546 WeakPolarHBondContact OD1-CB 3.48Å; D544-Q546 PolarHBondContact OD1-N 3.34Å
547T73.4Confident79.5Confident52 Ų5275.3 Ų75.332%0.31940%0.395SS..THydrogen-bonded Turntrans-105.8-14.6178.8630000114D544 L549 Y576D544-T547 WeakPolarHBondContact CB-OG1 3.45Å; D544-T547 VanDerWaalsContact CG-OG1 3.25Å; D544-T547 PolarHBondContact O-N 3.27Å; D544-T547 WeakPolarHBondContact OD2-CB 3.17Å; D544-T547 VanDerWaalsContact OD2-CG2 3.25Å; D544-T547 WeakPolarHBondContact OD2-CG2 3.41Å; D544-T547 PolarHBondContact OD2-N 3.05Å; D544-T547 PolarHBondContact OD2-OG1 2.83Å; T547-L549 PolarHBondContact O-N 2.67Å; T547-Y576 HydrophobicContact CG2-CE2 4.08Å
548G79.8Confident79.9Confident21 Ų2167.7 Ų67.722%0.21636%0.36CS..  trans70.915.9-176.600000113.9D544D544-G548 WeakPolarHBondContact O-CA 3.14Å; D544-G548 PolarHBondContact O-N 3.47Å
549L86.1Confident80.5Confident9 Ų965.4 Ų65.45%0.04733%0.334CS..  trans-100147.8-177.1-59.8175000111D544 T547 Y558 N560 Y576D544-L549 PolarHBondContact N-O 3.3Å; T547-L549 PolarHBondContact O-N 2.67Å; L549-Y558 HydrophobicContact CB-CD1 4.16Å; L549-Y558 HydrophobicContact CD1-CD1 4.27Å; L549-Y558 HydrophobicContact CD1-CG 4.46Å; L549-N560 HydrophobicContact CD2-CB 3.58Å; L549-Y576 HydrophobicContact CD1-CD1 3.85Å; L549-Y576 HydrophobicContact CD1-CD2 3.99Å; L549-Y576 HydrophobicContact CD1-CE1 3.68Å; L549-Y576 HydrophobicContact CD1-CE2 3.83Å; L549-Y576 HydrophobicContact CD1-CG 4Å
550Y85.6Confident81Confident54 Ų5464.9 Ų64.921%0.21233%0.328CS..EExtended strand (participates in β ladder)trans-98.6115.9171.5-76.2-97.9000109.7D536 S539 Y543 Y558 Y559 T561D536-Y550 HydrophobicContact CB-CE1 4.42Å; S539-Y550 WeakPolarHBondContact OG-CE1 3.44Å; Y543-Y550 HydrophobicContact CD2-CD1 4.26Å; Y543-Y550 AromaticContact CD2-CD2 3.85Å; Y543-Y550 HydrophobicContact CD2-CD2 3.85Å; Y543-Y550 AromaticContact CD2-CE1 3.98Å; Y543-Y550 HydrophobicContact CD2-CE1 3.98Å; Y543-Y550 AromaticContact CD2-CE2 3.52Å; Y543-Y550 HydrophobicContact CD2-CE2 3.52Å; Y543-Y550 HydrophobicContact CD2-CG 4.23Å; Y543-Y550 AromaticContact CD2-CZ 3.62Å; Y543-Y550 HydrophobicContact CE2-CD2 4.38Å; Y543-Y550 AromaticContact CE2-CE2 3.9Å; Y543-Y550 HydrophobicContact CE2-CE2 3.9Å; Y543-Y550 HydrophobicContact CG-CE1 4.36Å; Y550-Y558 CarbonylContact O-C 3.58Å; Y550-Y559 PolarHBondContact N-O 2.73Å; Y550-Y559 PolarHBondContact O-N 3.49Å; Y550-T561 HydrophobicContact CD2-CG2 3.55Å; Y550-T561 HydrophobicContact CE2-CG2 3.58Å
551Y86.4Confident80.9Confident32 Ų3266.3 Ų66.313%0.12533%0.329CS..EExtended strand (participates in β ladder)trans-90.4129.8177.6177-110000111.3T530 Y533 Y542 P553 Y558T530-Y551 HydrophobicContact CG2-CE1 4.29Å; Y533-Y551 AromaticContact CD2-CD1 3.97Å; Y533-Y551 HydrophobicContact CD2-CD1 3.97Å; Y533-Y551 HydrophobicContact CD2-CG 4.14Å; Y533-Y551 HydrophobicContact CE2-CD1 4.01Å; Y533-Y551 AromaticContact CE2-CG 3.87Å; Y533-Y551 HydrophobicContact CE2-CG 3.87Å; Y542-Y551 PolarHBondContact N-O 3.1Å; Y542-Y551 PolarHBondContact O-N 3.27Å; Y551-P553 HydrophobicContact CD1-CG 4.17Å; Y551-P553 HydrophobicContact CE1-CB 4.12Å; Y551-P553 HydrophobicContact CE1-CG 4.02Å; Y551-P553 WeakPolarHBondContact O-CD 3.46Å; Y551-Y558 HydrophobicContact CD2-CD1 4.04Å; Y551-Y558 HydrophobicContact CD2-CD2 4.17Å; Y551-Y558 AromaticContact CD2-CE1 3.64Å; Y551-Y558 HydrophobicContact CD2-CE1 3.64Å; Y551-Y558 AromaticContact CD2-CE2 3.78Å; Y551-Y558 HydrophobicContact CD2-CE2 3.78Å; Y551-Y558 HydrophobicContact CD2-CG 4.29Å; Y551-Y558 AromaticContact CD2-CZ 3.5Å; Y551-Y558 VanDerWaalsContact CD2-CZ 3.5Å; Y551-Y558 HydrophobicContact CE2-CE2 4.03Å; Y551-Y558 AromaticContact CE2-CZ 3.95Å; Y551-Y558 HydrophobicContact CG-CE1 4.09Å
552D83.4Confident80.5Confident33 Ų3369.9 Ų69.918%0.17635%0.35CS..  trans-99.1110.4169.1173.416.4000110.6Y541 N554 S555 Q556 Y557Y541-D552 HydrophobicContact CD1-CB 3.74Å; Y541-D552 HydrophobicContact CE1-CB 3.83Å; D552-N554 PolarHBondContact O-N 3.47Å; D552-N554 VanDerWaalsContact O-N 3.15Å; D552-N554 VanDerWaalsContact OD1-CB 3.31Å; D552-N554 WeakPolarHBondContact OD1-CB 3.17Å; D552-N554 PolarHBondContact OD1-N 2.94Å; D552-S555 PolarHBondContact O-N 3.1Å; D552-S555 WeakPolarHBondContact OD2-CB 3.33Å; D552-S555 PolarHBondContact OD2-N 3.09Å; D552-S555 VanDerWaalsContact OD2-N 3.11Å; D552-S555 PolarHBondContact OD2-OG 3.02Å; D552-Q556 WeakPolarHBondContact O-CA 3.45Å; D552-Q556 PolarHBondContact O-N 3.37Å; D552-Y557 PolarHBondContact N-O 3.05Å; D552-Y557 VanDerWaalsContact N-O 3.12Å
553P74.9Confident80.1Confident61 Ų6169 Ų6940%0.39635%0.353SS..THydrogen-bonded Turntrans-60.9-23177.2-21.432.4000114.5Y542 Y551Y542-P553 HydrophobicContact CD2-CG 3.42Å; Y542-P553 VanDerWaalsContact CD2-CG 3.42Å; Y542-P553 HydrophobicContact CE2-CG 3.57Å; Y542-P553 HydrophobicContact CG-CG 4.41Å; Y551-P553 HydrophobicContact CD1-CG 4.17Å; Y551-P553 HydrophobicContact CE1-CB 4.12Å; Y551-P553 HydrophobicContact CE1-CG 4.02Å; Y551-P553 WeakPolarHBondContact O-CD 3.46Å
554N76.3Confident79.8Confident155 Ų15572.2 Ų72.283%0.82937%0.371SS*.THydrogen-bonded Turntrans-89.1-26.3-173.3-17456.7000113D552D552-N554 PolarHBondContact O-N 3.47Å; D552-N554 VanDerWaalsContact O-N 3.15Å; D552-N554 VanDerWaalsContact OD1-CB 3.31Å; D552-N554 WeakPolarHBondContact OD1-CB 3.17Å; D552-N554 PolarHBondContact OD1-N 2.94Å
555S79.6Confident79.7Confident48 Ų4876.6 Ų76.634%0.33639%0.392SS..THydrogen-bonded Turntrans-110.6-14.3173.370.80000114.7D552 Y557D552-S555 PolarHBondContact O-N 3.1Å; D552-S555 WeakPolarHBondContact OD2-CB 3.33Å; D552-S555 PolarHBondContact OD2-N 3.09Å; D552-S555 VanDerWaalsContact OD2-N 3.11Å; D552-S555 PolarHBondContact OD2-OG 3.02Å; S555-Y557 WeakPolarHBondContact O-CD2 3.25Å; S555-Y557 WeakPolarHBondContact O-CE2 3.49Å; S555-Y557 PolarHBondContact O-N 3.41Å
556Q77.6Confident80.2Confident135 Ų13579 Ų7963%0.63139%0.392SS*.  trans63.517-178.1-54.8-175.6-7.900115D552D552-Q556 WeakPolarHBondContact O-CA 3.45Å; D552-Q556 PolarHBondContact O-N 3.37Å
557Y84.6Confident81Confident99 Ų9972 Ų7239%0.38836%0.36SS..  trans-91.9152.6170.5-67.2-88000111.6D552 S555 L567 Y568 A579D552-Y557 PolarHBondContact N-O 3.05Å; D552-Y557 VanDerWaalsContact N-O 3.12Å; S555-Y557 WeakPolarHBondContact O-CD2 3.25Å; S555-Y557 WeakPolarHBondContact O-CE2 3.49Å; S555-Y557 PolarHBondContact O-N 3.41Å; Y557-L567 WeakPolarHBondContact CA-O 3.37Å; Y557-Y568 HydrophobicContact CE1-CD1 4.5Å; Y557-A579 HydrophobicContact CE1-CB 4.24Å
558Y86.2Confident81.6Confident14 Ų1474.1 Ų74.16%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-102.6113.6170.9-67.2-95.8000108.2Y533 L549 Y550 Y551 L567 W569 Y576Y533-Y558 AromaticContact CE2-CE1 3.95Å; Y533-Y558 HydrophobicContact CE2-CE1 3.95Å; Y533-Y558 AromaticContact CZ-CE1 3.96Å; Y533-Y558 WeakPolarHBondContact OH-CE1 3.37Å; Y533-Y558 PolarHBondContact OH-OH 3.48Å; Y533-Y558 VanDerWaalsContact OH-OH 3.12Å; L549-Y558 HydrophobicContact CB-CD1 4.16Å; L549-Y558 HydrophobicContact CD1-CD1 4.27Å; L549-Y558 HydrophobicContact CD1-CG 4.46Å; Y550-Y558 CarbonylContact O-C 3.58Å; Y551-Y558 HydrophobicContact CD2-CD1 4.04Å; Y551-Y558 HydrophobicContact CD2-CD2 4.17Å; Y551-Y558 AromaticContact CD2-CE1 3.64Å; Y551-Y558 HydrophobicContact CD2-CE1 3.64Å; Y551-Y558 AromaticContact CD2-CE2 3.78Å; Y551-Y558 HydrophobicContact CD2-CE2 3.78Å; Y551-Y558 HydrophobicContact CD2-CG 4.29Å; Y551-Y558 AromaticContact CD2-CZ 3.5Å; Y551-Y558 VanDerWaalsContact CD2-CZ 3.5Å; Y551-Y558 HydrophobicContact CE2-CE2 4.03Å; Y551-Y558 AromaticContact CE2-CZ 3.95Å; Y551-Y558 HydrophobicContact CG-CE1 4.09Å; Y558-L567 PolarHBondContact N-O 2.86Å; Y558-L567 PolarHBondContact O-N 3.13Å; Y558-W569 HydrophobicContact CE2-CB 4.03Å; Y558-Y576 AromaticContact CD1-CE1 3.67Å; Y558-Y576 HydrophobicContact CD1-CE1 3.67Å; Y558-Y576 HydrophobicContact CD2-CD1 4Å; Y558-Y576 AromaticContact CD2-CE1 3.65Å; Y558-Y576 HydrophobicContact CD2-CE1 3.65Å; Y558-Y576 AromaticContact CE1-CE1 3.91Å; Y558-Y576 HydrophobicContact CE1-CE1 3.91Å; Y558-Y576 AromaticContact CE2-CE1 3.9Å; Y558-Y576 HydrophobicContact CE2-CE1 3.9Å; Y558-Y576 AromaticContact CG-CD1 3.98Å; Y558-Y576 HydrophobicContact CG-CD1 3.98Å; Y558-Y576 AromaticContact CG-CE1 3.53Å; Y558-Y576 HydrophobicContact CG-CE1 3.53Å
559Y86.4Confident81.7Confident64 Ų6475.2 Ų75.225%0.25136%0.36SS..EExtended strand (participates in β ladder)trans-88.4123175.7-177.2-107.7000110.2Y550 T561 Y566Y550-Y559 PolarHBondContact N-O 2.73Å; Y550-Y559 PolarHBondContact O-N 3.49Å; Y559-T561 HydrophobicContact CD1-CG2 4.04Å; Y559-T561 HydrophobicContact CE1-CG2 3.93Å; Y559-Y566 AromaticContact CD2-CD1 3.96Å; Y559-Y566 HydrophobicContact CD2-CD1 3.96Å; Y559-Y566 HydrophobicContact CD2-CD2 4.24Å; Y559-Y566 AromaticContact CD2-CE1 3.72Å; Y559-Y566 HydrophobicContact CD2-CE1 3.72Å; Y559-Y566 HydrophobicContact CD2-CE2 4.01Å; Y559-Y566 HydrophobicContact CD2-CG 4.22Å; Y559-Y566 AromaticContact CD2-CZ 3.74Å; Y559-Y566 HydrophobicContact CE2-CE2 4.18Å; Y559-Y566 HydrophobicContact CG-CE1 4.25Å
560N84.4Confident81.2Confident34 Ų3475.7 Ų75.718%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-92.2113.8172-176.2-39.4000109.1L549 Q562 T563 Q564 Q565 L567L549-N560 HydrophobicContact CD2-CB 3.58Å; N560-Q562 VanDerWaalsContact C-N 3.27Å; N560-Q562 PolarHBondContact O-N 3.1Å; N560-Q562 WeakPolarHBondContact OD1-CA 3.4Å; N560-Q562 WeakPolarHBondContact OD1-CB 3.49Å; N560-Q562 PolarHBondContact OD1-N 3.22Å; N560-T563 WeakPolarHBondContact CB-OG1 3.42Å; N560-T563 PolarHBondContact O-N 2.94Å; N560-T563 PolarHBondContact OD1-N 2.83Å; N560-T563 VanDerWaalsContact OD1-N 3.1Å; N560-Q564 VanDerWaalsContact O-CA 3.29Å; N560-Q564 WeakPolarHBondContact O-CA 3.42Å; N560-Q564 PolarHBondContact O-N 3.13Å; N560-Q565 PolarHBondContact N-O 3.1Å; N560-L567 HydrophobicContact CB-CD1 3.68Å
561T76.2Confident80.4Confident66 Ų6677.3 Ų77.341%0.40538%0.382SS..THydrogen-bonded Turntrans-67.2-25.3-179.345.70000113.8Y550 Y559Y550-T561 HydrophobicContact CD2-CG2 3.55Å; Y550-T561 HydrophobicContact CE2-CG2 3.58Å; Y559-T561 HydrophobicContact CD1-CG2 4.04Å; Y559-T561 HydrophobicContact CE1-CG2 3.93Å
562Q73Confident79.6Confident175 Ų17584 Ų8482%0.81841%0.414SS*.THydrogen-bonded Turntrans-80.4-35.6-179.3-53.1-178.67.600112.1N560N560-Q562 VanDerWaalsContact C-N 3.27Å; N560-Q562 PolarHBondContact O-N 3.1Å; N560-Q562 WeakPolarHBondContact OD1-CA 3.4Å; N560-Q562 WeakPolarHBondContact OD1-CB 3.49Å; N560-Q562 PolarHBondContact OD1-N 3.22Å
563T76.4Confident78.7Confident69 Ų6988.5 Ų88.542%0.42343%0.432SS..THydrogen-bonded Turntrans-101.3-9.5179.266.30000114.1N560 Q565N560-T563 WeakPolarHBondContact CB-OG1 3.42Å; N560-T563 PolarHBondContact O-N 2.94Å; N560-T563 PolarHBondContact OD1-N 2.83Å; N560-T563 VanDerWaalsContact OD1-N 3.1Å; T563-Q565 PolarHBondContact O-N 3.21Å
564Q79.3Confident78.6Confident147 Ų14789.7 Ų89.769%0.68743%0.433SS*.THydrogen-bonded Turntrans55.228-174-55.5-171.43.200114.1N560N560-Q564 VanDerWaalsContact O-CA 3.29Å; N560-Q564 WeakPolarHBondContact O-CA 3.42Å; N560-Q564 PolarHBondContact O-N 3.13Å
565Q81.3Confident78.9Confident99 Ų9985.9 Ų85.946%0.46342%0.415SS..EExtended strand (participates in β ladder)trans-107.2143.8-179.7-70.1172.212.200111.2N560 T563 L567N560-Q565 PolarHBondContact N-O 3.1Å; T563-Q565 PolarHBondContact O-N 3.21Å; Q565-L567 WeakPolarHBondContact O-CD1 3.3Å
566Y84.4Confident78.9Confident124 Ų12485.5 Ų85.549%0.48641%0.407SS..EExtended strand (participates in β ladder)trans-85.3122.2165.3-66.3-85.7000108.8Y559 A579Y559-Y566 AromaticContact CD2-CD1 3.96Å; Y559-Y566 HydrophobicContact CD2-CD1 3.96Å; Y559-Y566 HydrophobicContact CD2-CD2 4.24Å; Y559-Y566 AromaticContact CD2-CE1 3.72Å; Y559-Y566 HydrophobicContact CD2-CE1 3.72Å; Y559-Y566 HydrophobicContact CD2-CE2 4.01Å; Y559-Y566 HydrophobicContact CD2-CG 4.22Å; Y559-Y566 AromaticContact CD2-CZ 3.74Å; Y559-Y566 HydrophobicContact CE2-CE2 4.18Å; Y559-Y566 HydrophobicContact CG-CE1 4.25Å; Y566-A579 WeakPolarHBondContact O-CB 3.35Å; Y566-A579 PolarHBondContact O-N 2.71Å
567L85.9Confident79.3Confident21 Ų2180.9 Ų80.911%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-109.5154.2172.1-54.496000109.4Y557 Y558 N560 Q565 V577Y557-L567 WeakPolarHBondContact CA-O 3.37Å; Y558-L567 PolarHBondContact N-O 2.86Å; Y558-L567 PolarHBondContact O-N 3.13Å; N560-L567 HydrophobicContact CB-CD1 3.68Å; Q565-L567 WeakPolarHBondContact O-CD1 3.3Å; L567-V577 CarbonylContact C-O 3.58Å; L567-V577 VanDerWaalsContact CA-O 3.24Å; L567-V577 WeakPolarHBondContact CA-O 3.46Å
568Y86.2Confident79.1Confident97 Ų9778.9 Ų78.938%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-117.1152.6166.365.6-82.1000109.5Y557 D570 Y576 V577Y557-Y568 HydrophobicContact CE1-CD1 4.5Å; Y568-D570 HydrophobicContact CE2-CB 4.29Å; Y568-D570 PolarHBondContact O-N 2.87Å; Y568-Y576 WeakPolarHBondContact O-CA 3.42Å; Y568-V577 HydrophobicContact CD1-CB 4.41Å; Y568-V577 VanDerWaalsContact CD1-O 3.23Å; Y568-V577 WeakPolarHBondContact CD1-O 3.48Å; Y568-V577 HydrophobicContact CE1-CB 3.86Å; Y568-V577 HydrophobicContact CE1-CG1 3.9Å; Y568-V577 HydrophobicContact CE2-CB 4.3Å; Y568-V577 PolarHBondContact N-O 3.27Å; Y568-V577 PolarHBondContact O-N 2.7Å
569W81.3Confident78.4Confident43 Ų4380.8 Ų80.816%0.16341%0.405CS..EExtended strand (participates in β ladder)trans-79.9113.9174.8178.6-103.1000110C525 L527 P528 Y558 S571 Q574 Y576C525-W569 HydrophobicContact CB-CH2 4.16Å; L527-W569 HydrophobicContact CD2-CZ2 4.18Å; P528-W569 VanDerWaalsContact CD-CE2 3.42Å; P528-W569 VanDerWaalsContact CD-CZ2 3.45Å; P528-W569 HydrophobicContact CG-CD2 3.89Å; P528-W569 HydrophobicContact CG-CE3 3.81Å; P528-W569 HydrophobicContact CG-CH2 4.05Å; P528-W569 HydrophobicContact CG-CZ2 4.16Å; P528-W569 HydrophobicContact CG-CZ3 3.89Å; Y558-W569 HydrophobicContact CE2-CB 4.03Å; W569-S571 PolarHBondContact O-N 2.89Å; W569-Q574 HydrophobicContact CH2-CB 4.06Å; W569-Q574 WeakPolarHBondContact CH2-O 3.44Å; W569-Q574 VanDerWaalsContact CZ2-CA 3.43Å; W569-Q574 HydrophobicContact CZ2-CB 3.88Å; W569-Q574 HydrophobicContact CZ2-CG 4.3Å; W569-Y576 HydrophobicContact CB-CD1 4.48Å; W569-Y576 HydrophobicContact CB-CE1 4.39Å; W569-Y576 AromaticContact CE3-CD1 3.91Å; W569-Y576 HydrophobicContact CE3-CD1 3.91Å; W569-Y576 AromaticContact CE3-CD2 3.93Å; W569-Y576 HydrophobicContact CE3-CD2 3.93Å; W569-Y576 AromaticContact CE3-CE1 3.73Å; W569-Y576 HydrophobicContact CE3-CE1 3.73Å; W569-Y576 AromaticContact CE3-CE2 3.75Å; W569-Y576 HydrophobicContact CE3-CE2 3.75Å; W569-Y576 HydrophobicContact CE3-CG 4.02Å; W569-Y576 AromaticContact CE3-CZ 3.65Å; W569-Y576 AromaticContact CZ3-CD2 3.93Å; W569-Y576 HydrophobicContact CZ3-CD2 3.93Å; W569-Y576 HydrophobicContact CZ3-CE1 4.46Å; W569-Y576 AromaticContact CZ3-CE2 3.64Å; W569-Y576 HydrophobicContact CZ3-CE2 3.64Å; W569-Y576 HydrophobicContact CZ3-CG 4.45Å; W569-Y576 AromaticContact CZ3-CZ 3.95Å
570D75.7Confident77Confident19 Ų1983.3 Ų83.310%0.10243%0.433CS..EExtended strand (participates in β ladder)trans-84.8104.7172.3-174.2-32000109.3Y568 E572 K573 Q574 T575 V577Y568-D570 HydrophobicContact CE2-CB 4.29Å; Y568-D570 PolarHBondContact O-N 2.87Å; D570-E572 PolarHBondContact O-N 3.08Å; D570-E572 WeakPolarHBondContact OD1-CB 3.21Å; D570-E572 PolarHBondContact OD1-N 3.36Å; D570-K573 HydrophobicContact CB-CB 4.27Å; D570-K573 PolarHBondContact O-N 3.19Å; D570-K573 PolarHBondContact OD1-N 2.87Å; D570-K573 IonicContact OD1-NZ 2.63Å; D570-K573 WeakPolarHBondContact OD2-CD 3.13Å; D570-K573 WeakPolarHBondContact OD2-CE 3.03Å; D570-K573 IonicContact OD2-NZ 3.91Å; D570-K573 PolarHBondContact OD2-NZ 2.8Å; D570-Q574 WeakPolarHBondContact O-CA 3.42Å; D570-Q574 PolarHBondContact O-N 3.04Å; D570-T575 PolarHBondContact N-O 2.88Å; D570-V577 HydrophobicContact CB-CG2 3.72Å
571S68.3Low75.6Confident88 Ų8885.2 Ų85.262%0.61546%0.46SS*.THydrogen-bonded Turntrans-64.9-22.2-17856.40000114.3W569W569-S571 PolarHBondContact O-N 2.89Å
572E70Confident73.9Confident173 Ų17389.4 Ų89.481%0.80848%0.48SS*.THydrogen-bonded Turntrans-82.7-25.8178.2-60.2-176.816800111.6D570D570-E572 PolarHBondContact O-N 3.08Å; D570-E572 WeakPolarHBondContact OD1-CB 3.21Å; D570-E572 PolarHBondContact OD1-N 3.36Å
573K65.6Low72.1Confident127 Ų12788.4 Ų88.455%0.55248%0.479SS*.THydrogen-bonded Turntrans-107-6.3-178.7-59.8177.2-166.562.80113.8D570 T575D570-K573 HydrophobicContact CB-CB 4.27Å; D570-K573 PolarHBondContact O-N 3.19Å; D570-K573 PolarHBondContact OD1-N 2.87Å; D570-K573 IonicContact OD1-NZ 2.63Å; D570-K573 WeakPolarHBondContact OD2-CD 3.13Å; D570-K573 WeakPolarHBondContact OD2-CE 3.03Å; D570-K573 IonicContact OD2-NZ 3.91Å; D570-K573 PolarHBondContact OD2-NZ 2.8Å; K573-T575 PolarHBondContact O-N 2.94Å; K573-T575 PolarHBondContact O-OG1 2.81Å
574Q72.3Confident69.8Low87 Ų8793.1 Ų93.141%0.40750%0.501SS..THydrogen-bonded Turntrans47.442.3-174.4-63.3-176.6-30.100112.4W569 D570W569-Q574 HydrophobicContact CH2-CB 4.06Å; W569-Q574 WeakPolarHBondContact CH2-O 3.44Å; W569-Q574 VanDerWaalsContact CZ2-CA 3.43Å; W569-Q574 HydrophobicContact CZ2-CB 3.88Å; W569-Q574 HydrophobicContact CZ2-CG 4.3Å; D570-Q574 WeakPolarHBondContact O-CA 3.42Å; D570-Q574 PolarHBondContact O-N 3.04Å
575T82.4Confident67.3Low75 Ų7590.9 Ų90.946%0.4651%0.508SS..EExtended strand (participates in β ladder)trans-144.5145.5-170.3-59.70000109.8D570 K573D570-T575 PolarHBondContact N-O 2.88Å; K573-T575 PolarHBondContact O-N 2.94Å; K573-T575 PolarHBondContact O-OG1 2.81Å
576Y80.4Confident64.7Low40 Ų4089.4 Ų89.416%0.15752%0.52CS..EExtended strand (participates in β ladder)trans-78.5124.8172.1-63.4-82.7000110.8P528 T547 L549 Y558 Y568 W569P528-Y576 WeakPolarHBondContact CG-OH 3.22Å; T547-Y576 HydrophobicContact CG2-CE2 4.08Å; L549-Y576 HydrophobicContact CD1-CD1 3.85Å; L549-Y576 HydrophobicContact CD1-CD2 3.99Å; L549-Y576 HydrophobicContact CD1-CE1 3.68Å; L549-Y576 HydrophobicContact CD1-CE2 3.83Å; L549-Y576 HydrophobicContact CD1-CG 4Å; Y558-Y576 AromaticContact CD1-CE1 3.67Å; Y558-Y576 HydrophobicContact CD1-CE1 3.67Å; Y558-Y576 HydrophobicContact CD2-CD1 4Å; Y558-Y576 AromaticContact CD2-CE1 3.65Å; Y558-Y576 HydrophobicContact CD2-CE1 3.65Å; Y558-Y576 AromaticContact CE1-CE1 3.91Å; Y558-Y576 HydrophobicContact CE1-CE1 3.91Å; Y558-Y576 AromaticContact CE2-CE1 3.9Å; Y558-Y576 HydrophobicContact CE2-CE1 3.9Å; Y558-Y576 AromaticContact CG-CD1 3.98Å; Y558-Y576 HydrophobicContact CG-CD1 3.98Å; Y558-Y576 AromaticContact CG-CE1 3.53Å; Y558-Y576 HydrophobicContact CG-CE1 3.53Å; Y568-Y576 WeakPolarHBondContact O-CA 3.42Å; W569-Y576 HydrophobicContact CB-CD1 4.48Å; W569-Y576 HydrophobicContact CB-CE1 4.39Å; W569-Y576 AromaticContact CE3-CD1 3.91Å; W569-Y576 HydrophobicContact CE3-CD1 3.91Å; W569-Y576 AromaticContact CE3-CD2 3.93Å; W569-Y576 HydrophobicContact CE3-CD2 3.93Å; W569-Y576 AromaticContact CE3-CE1 3.73Å; W569-Y576 HydrophobicContact CE3-CE1 3.73Å; W569-Y576 AromaticContact CE3-CE2 3.75Å; W569-Y576 HydrophobicContact CE3-CE2 3.75Å; W569-Y576 HydrophobicContact CE3-CG 4.02Å; W569-Y576 AromaticContact CE3-CZ 3.65Å; W569-Y576 AromaticContact CZ3-CD2 3.93Å; W569-Y576 HydrophobicContact CZ3-CD2 3.93Å; W569-Y576 HydrophobicContact CZ3-CE1 4.46Å; W569-Y576 AromaticContact CZ3-CE2 3.64Å; W569-Y576 HydrophobicContact CZ3-CE2 3.64Å; W569-Y576 HydrophobicContact CZ3-CG 4.45Å; W569-Y576 AromaticContact CZ3-CZ 3.95Å
577V84.9Confident62.1Low38 Ų3892.2 Ų92.223%0.2354%0.537CS..EExtended strand (participates in β ladder)trans-114.5129.1-176-1780000109.9L567 Y568 D570L567-V577 CarbonylContact C-O 3.58Å; L567-V577 VanDerWaalsContact CA-O 3.24Å; L567-V577 WeakPolarHBondContact CA-O 3.46Å; Y568-V577 HydrophobicContact CD1-CB 4.41Å; Y568-V577 VanDerWaalsContact CD1-O 3.23Å; Y568-V577 WeakPolarHBondContact CD1-O 3.48Å; Y568-V577 HydrophobicContact CE1-CB 3.86Å; Y568-V577 HydrophobicContact CE1-CG1 3.9Å; Y568-V577 HydrophobicContact CE2-CB 4.3Å; Y568-V577 PolarHBondContact N-O 3.27Å; Y568-V577 PolarHBondContact O-N 2.7Å; D570-V577 HydrophobicContact CB-CG2 3.72Å
578P81Confident59.2Low56 Ų5697.5 Ų97.536%0.36457%0.566SS.*EExtended strand (participates in β ladder)trans-72.7135.3-177.728.6-34.4000112.7S580P578-S580 PolarHBondContact O-N 3.22Å
579A71.1Confident56.3Low54 Ų5499.5 Ų99.545%0.44658%0.583SS.*  trans-74.98817700000111.3Y557 Y566Y557-A579 HydrophobicContact CE1-CB 4.24Å; Y566-A579 WeakPolarHBondContact O-CB 3.35Å; Y566-A579 PolarHBondContact O-N 2.71Å
580S57.4Low53.9Low118 Ų118106.5 Ų106.583%0.82561%0.614SS**  trans-70.4144.7177.2-62.10000112.3P578P578-S580 PolarHBondContact O-N 3.22Å
581G55.7Low51.5Low74 Ų74111.9 Ų111.976%0.76365%0.648SS**  trans-159.7115.917300000115.7
582N39.7Very low49.6Very low153 Ų153112.6 Ų112.682%0.81866%0.66SS**  trans-161.1157.6136.7-136.9-21.5000113.4
583I34.2Very low47.6Very low154 Ų154112.6 Ų112.679%0.7967%0.665SS**  trans27.9133165.425.4174000122.3
584N28.6Very low45.8Very low168 Ų168110.4 Ų110.490%0.89868%0.678SS**  trans-111.6153.7155.2-123.4-44.5000109.3
585A27.2Very low43.6Very low100 Ų100112 Ų11283%0.82670%0.699SS**  trans-125.5153.9-172.900000113.6
586G26.3Very low41Very low69 Ų69113.7 Ų113.771%0.71172%0.72SS**  trans116.1127.6157.200000117.4
587Q30.1Very low38.4Very low183 Ų183115.6 Ų115.686%0.85575%0.752SS**  trans69.9144.5159.9-56.9-179.5-0.500116.9
588N25.9Very low35.6Very low132 Ų132117.3 Ų117.371%0.70678%0.778SS**  cis-148.3173.52.9-137.8-19000113.7
589D25.5Very low33Very low138 Ų138121.9 Ų121.974%0.73880%0.799SS**  trans-56.7149-170.9-65.8-58.8000118.1
590K30.1Very low31.1Very low190 Ų190128.2 Ų128.283%0.82682%0.817SS**  178.9125102-96.4175.4-177.2179.20116.9
591T25.6Very low29.8Very low132 Ų132131.3 Ų131.381%0.8182%0.818SS**  trans47115.7141.959.70000122
592A27.5Very low29.1Very low104 Ų104133.3 Ų133.386%0.8682%0.818SS**  -175.1153.411300000113
593N27.3Very low28.5Very low173 Ų173134.2 Ų134.293%0.92581%0.814SS**  trans-71.8161.3-176.9-60.5-21.6000114.6
594G28Very low28.7Very low80 Ų80134.5 Ų134.583%0.82581%0.812SS**  trans161.395.4155.700000117.3
595S27Very low28.7Very low122 Ų122136.7 Ų136.785%0.85381%0.814SS**  trans-51.5147.1-175.3-52.20000120.1
596A26.8Very low29.4Very low109 Ų109141.9 Ų141.990%0.90182%0.818SS**  trans69.214413600000122.4
597G26.7Very low29.8Very low80 Ų80147 Ų14783%0.82582%0.823SS**  trans129.457.3137.400000121.4
598G26.4Very low30.5Very low75 Ų75146.4 Ų146.477%0.77382%0.818SS**  trans65109.413500000123
599N26.9Very low31.1Very low151 Ų151146.1 Ų146.181%0.80782%0.823SS**  92.6144.5123-144.6-4.5000120.8
600K30.4Very low32Very low187 Ų187147.7 Ų147.781%0.81382%0.823SS**  trans76.3118166.2-58.6-171.3178.5-179.30121.2
601E31.1Very low33Very low183 Ų183142 Ų14286%0.85581%0.808SS**  trans-69.8-179.8152.7-53-172.4110.900111.2
602P41Very low34.4Very low116 Ų116144 Ų14475%0.75381%0.805SS**  cis-140.2-173.47.442.1-22.5000117.4
603K26.8Very low36Very low173 Ų173143.4 Ų143.475%0.75279%0.791SS**  trans98.999.2146.9-154.8167.9-173.1173.30119.6
604E37.3Very low37.3Very low159 Ų159137.9 Ų137.974%0.74377%0.769SS**  trans50.6109.8140.8-58.8177.7116.900120.4
605K30Very low39.5Very low214 Ų214140.3 Ų140.393%0.9376%0.759SS**  trans-153.1137.2137.8-115.1155.4-169.3169.50114.2
606K42Very low41.7Very low209 Ų209141.4 Ų141.491%0.90975%0.751SS**  trans-79.1110.8-176.9170.1-176.7179.6174.10111.3
607E34.3Very low44Very low177 Ų177141 Ų14183%0.82773%0.732SS**  trans-127.6156.5178.7-91.3-92.192.600112.6
608K44.9Very low46.1Very low170 Ų170139.9 Ų139.974%0.73972%0.716SS**  trans-110.8138.7-165.6-53.3157.3-175.1163.70112.5K610K608-K610 PolarHBondContact O-N 2.86Å
609P37.8Very low49Very low126 Ų126142.7 Ų142.782%0.81871%0.707SS**SBendtrans-94.974.2161.135.2-31.4000112.1
610K44.8Very low51.4Low172 Ų172140.6 Ų140.675%0.74870%0.696SS**  trans-115.6-2.3162.3-71.8-166.6176.6-173.80113.6K608 A614K608-K610 PolarHBondContact O-N 2.86Å; K610-A614 PolarHBondContact O-N 3.49Å
611S51.5Low53.3Low71 Ų71137.1 Ų137.150%0.49768%0.683SS.*Hα-helixtrans-71.9-37.6-172.650.90000114.5A614 Q615S611-A614 PolarHBondContact O-N 3.12Å; S611-Q615 WeakPolarHBondContact O-CB 3.15Å; S611-Q615 WeakPolarHBondContact O-CG 3.4Å; S611-Q615 PolarHBondContact O-N 3.4Å
612K53.8Low55.8Low172 Ų172132.9 Ų132.975%0.74866%0.664SS**Hα-helixtrans-63.8-47.7-178.7-70.3-176.4178178.10111.9A614 Q615 Q616K612-A614 PolarHBondContact O-N 3.46Å; K612-Q615 PolarHBondContact O-N 3.16Å; K612-Q616 WeakPolarHBondContact O-CB 3.45Å; K612-Q616 PolarHBondContact O-N 3.4Å
613T61.8Low57.5Low93 Ų93136 Ų13657%0.57166%0.661SS**Hα-helixtrans-62.1-42176-33.80000111.6Q616 I617T613-Q616 PolarHBondContact O-N 2.98Å; T613-I617 HydrophobicContact CG2-CD1 4.25Å; T613-I617 VanDerWaalsContact O-CG1 3.29Å; T613-I617 WeakPolarHBondContact O-CG1 3.26Å; T613-I617 PolarHBondContact O-N 3.07Å
614A55.2Low59.3Low57 Ų57136 Ų13647%0.47166%0.656SS.*Hα-helixtrans-64.2-42.2177.200000112.9K610 S611 K612 Q616 I617 A618K610-A614 PolarHBondContact O-N 3.49Å; S611-A614 PolarHBondContact O-N 3.12Å; K612-A614 PolarHBondContact O-N 3.46Å; A614-Q616 VanDerWaalsContact C-N 3.32Å; A614-Q616 PolarHBondContact O-N 3.03Å; A614-I617 PolarHBondContact O-N 2.64Å; A614-A618 WeakPolarHBondContact O-CB 3.46Å; A614-A618 PolarHBondContact O-N 2.99Å
615Q72.8Confident61.4Low130 Ų130130.5 Ų130.561%0.60764%0.638SS**Hα-helixtrans-67.9-31.5174.2-75.9-175-11.300112.8S611 K612 K619S611-Q615 WeakPolarHBondContact O-CB 3.15Å; S611-Q615 WeakPolarHBondContact O-CG 3.4Å; S611-Q615 PolarHBondContact O-N 3.4Å; K612-Q615 PolarHBondContact O-N 3.16Å; Q615-K619 WeakPolarHBondContact O-CB 3.43Å; Q615-K619 PolarHBondContact O-N 2.86Å
616Q73.8Confident63.9Low145 Ų145126.7 Ų126.768%0.67862%0.621SS**Hα-helixtrans-72-43.2176.5-165.6159.3-10.900111.1K612 T613 A614 K619 D620K612-Q616 WeakPolarHBondContact O-CB 3.45Å; K612-Q616 PolarHBondContact O-N 3.4Å; T613-Q616 PolarHBondContact O-N 2.98Å; A614-Q616 VanDerWaalsContact C-N 3.32Å; A614-Q616 PolarHBondContact O-N 3.03Å; Q616-K619 PolarHBondContact O-N 3.1Å; Q616-D620 WeakPolarHBondContact O-CB 3.33Å; Q616-D620 PolarHBondContact O-N 2.82Å
617I74.7Confident65.8Low100 Ų100119.9 Ų119.951%0.51360%0.6SS.*Hα-helixtrans-59.2-45.8169.3-67.6162.5000110.5T613 A614 K619 D620 M621T613-I617 HydrophobicContact CG2-CD1 4.25Å; T613-I617 VanDerWaalsContact O-CG1 3.29Å; T613-I617 WeakPolarHBondContact O-CG1 3.26Å; T613-I617 PolarHBondContact O-N 3.07Å; A614-I617 PolarHBondContact O-N 2.64Å; I617-K619 PolarHBondContact O-N 3.1Å; I617-D620 PolarHBondContact O-N 3.48Å; I617-M621 HydrophobicContact CG2-CG 4.33Å; I617-M621 HydrophobicContact CG2-SD 4.22Å; I617-M621 WeakPolarHBondContact O-CB 3.49Å; I617-M621 WeakPolarHBondContact O-CG 3.36Å; I617-M621 PolarHBondContact O-N 3.47Å
618A71.8Confident67.9Low58 Ų58115.3 Ų115.348%0.47958%0.581SS.*Hα-helixtrans-61.1-44.1178.500000112.4A614 D620 E622A614-A618 WeakPolarHBondContact O-CB 3.46Å; A614-A618 PolarHBondContact O-N 2.99Å; A618-D620 VanDerWaalsContact C-N 3.35Å; A618-E622 WeakPolarHBondContact O-CB 3.33Å; A618-E622 PolarHBondContact O-N 2.64Å
619K86.9Confident69.5Low134 Ų134111.4 Ų111.458%0.58357%0.568SS**Hα-helixtrans-67.5-32.1175-82.9179.2174.3172.70113.1Q615 Q616 I617 E622 R623Q615-K619 WeakPolarHBondContact O-CB 3.43Å; Q615-K619 PolarHBondContact O-N 2.86Å; Q616-K619 PolarHBondContact O-N 3.1Å; I617-K619 PolarHBondContact O-N 3.1Å; K619-E622 PolarHBondContact O-N 3.39Å; K619-R623 WeakPolarHBondContact O-CB 3.39Å; K619-R623 VanDerWaalsContact O-CG 3.26Å; K619-R623 WeakPolarHBondContact O-CG 3.45Å; K619-R623 PolarHBondContact O-N 2.88Å
620D76.4Confident71.5Confident107 Ų107112.1 Ų112.157%0.57256%0.558SS**Hα-helixtrans-77.1-37.6177.8-150.946.4000111.5Q616 I617 A618 E622 R623 W624Q616-D620 WeakPolarHBondContact O-CB 3.33Å; Q616-D620 PolarHBondContact O-N 2.82Å; I617-D620 PolarHBondContact O-N 3.48Å; A618-D620 VanDerWaalsContact C-N 3.35Å; D620-E622 VanDerWaalsContact C-N 3.33Å; D620-E622 PolarHBondContact O-N 3.11Å; D620-R623 PolarHBondContact O-N 3.15Å; D620-W624 VanDerWaalsContact O-CB 3.22Å; D620-W624 WeakPolarHBondContact O-CB 3.31Å; D620-W624 PolarHBondContact O-N 3.2Å
621M71.6Confident72.7Confident113 Ų113110.7 Ų110.756%0.55755%0.554SS**Hα-helixtrans-62.1-37.8166.8-70.4-170.478.900112.1I617 W624 A625I617-M621 HydrophobicContact CG2-CG 4.33Å; I617-M621 HydrophobicContact CG2-SD 4.22Å; I617-M621 WeakPolarHBondContact O-CB 3.49Å; I617-M621 WeakPolarHBondContact O-CG 3.36Å; I617-M621 PolarHBondContact O-N 3.47Å; M621-W624 PolarHBondContact O-N 2.91Å; M621-A625 VanDerWaalsContact O-CB 3.23Å; M621-A625 WeakPolarHBondContact O-CB 3.44Å; M621-A625 PolarHBondContact O-N 2.88Å
622E82.9Confident73.7Confident95 Ų95113.3 Ų113.344%0.44456%0.557SS.*Hα-helixtrans-66.6-42.6174.5-164.6-160159.600111.6A618 K619 D620 K626A618-E622 WeakPolarHBondContact O-CB 3.33Å; A618-E622 PolarHBondContact O-N 2.64Å; K619-E622 PolarHBondContact O-N 3.39Å; D620-E622 VanDerWaalsContact C-N 3.33Å; D620-E622 PolarHBondContact O-N 3.11Å; E622-K626 HydrophobicContact CG-CD 4.32Å; E622-K626 VanDerWaalsContact O-CB 3.29Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 VanDerWaalsContact O-CG 3.3Å; E622-K626 WeakPolarHBondContact O-CG 3.44Å; E622-K626 PolarHBondContact O-N 2.9Å; E622-K626 WeakPolarHBondContact OE1-CE 3.25Å; E622-K626 IonicContact OE1-NZ 3Å; E622-K626 PolarHBondContact OE1-NZ 3.47Å
623R76.7Confident74.2Confident182 Ų182109.4 Ų109.469%0.68754%0.541SS*.Hα-helixtrans-65.1-41173.9-77.2173.1178.1-83.2-0.8111.8K619 D620 K626 S627K619-R623 WeakPolarHBondContact O-CB 3.39Å; K619-R623 VanDerWaalsContact O-CG 3.26Å; K619-R623 WeakPolarHBondContact O-CG 3.45Å; K619-R623 PolarHBondContact O-N 2.88Å; D620-R623 PolarHBondContact O-N 3.15Å; R623-K626 PolarHBondContact O-N 2.83Å; R623-S627 VanDerWaalsContact O-CB 3.28Å; R623-S627 WeakPolarHBondContact O-CB 3.32Å; R623-S627 PolarHBondContact O-N 3.44Å
624W65.4Low74.3Confident171 Ų171109.5 Ų109.565%0.64854%0.538SS*.Hα-helixtrans-65.2-46.9175.9-177.760.6000111.3D620 M621 K626 S627 L628D620-W624 VanDerWaalsContact O-CB 3.22Å; D620-W624 WeakPolarHBondContact O-CB 3.31Å; D620-W624 PolarHBondContact O-N 3.2Å; M621-W624 PolarHBondContact O-N 2.91Å; W624-K626 PolarHBondContact O-N 2.93Å; W624-S627 CarbonylContact O-C 3.56Å; W624-S627 PolarHBondContact O-N 3.31Å; W624-S627 VanDerWaalsContact O-N 3.16Å; W624-L628 HydrophobicContact CZ2-CD1 4.34Å; W624-L628 VanDerWaalsContact O-CB 3.31Å; W624-L628 WeakPolarHBondContact O-CB 3.23Å; W624-L628 PolarHBondContact O-N 2.85Å
625A80.2Confident74.3Confident45 Ų45114.4 Ų114.437%0.37255%0.549SS..Hα-helixtrans-62.1-40.3174.700000112.3M621 L628 N629M621-A625 VanDerWaalsContact O-CB 3.23Å; M621-A625 WeakPolarHBondContact O-CB 3.44Å; M621-A625 PolarHBondContact O-N 2.88Å; A625-L628 PolarHBondContact O-N 3.11Å; A625-N629 WeakPolarHBondContact O-CB 3.44Å; A625-N629 PolarHBondContact O-N 3.31Å
626K82Confident73.6Confident133 Ų133114.2 Ų114.258%0.57855%0.546SS*.Hα-helixtrans-67.6-35.3173.1-76.8173.6172.2175.20112.3E622 R623 W624 K630E622-K626 HydrophobicContact CG-CD 4.32Å; E622-K626 VanDerWaalsContact O-CB 3.29Å; E622-K626 WeakPolarHBondContact O-CB 3.34Å; E622-K626 VanDerWaalsContact O-CG 3.3Å; E622-K626 WeakPolarHBondContact O-CG 3.44Å; E622-K626 PolarHBondContact O-N 2.9Å; E622-K626 WeakPolarHBondContact OE1-CE 3.25Å; E622-K626 IonicContact OE1-NZ 3Å; E622-K626 PolarHBondContact OE1-NZ 3.47Å; R623-K626 PolarHBondContact O-N 2.83Å; W624-K626 PolarHBondContact O-N 2.93Å; K626-K630 WeakPolarHBondContact O-CB 3.39Å; K626-K630 PolarHBondContact O-N 3.24Å
627S82.7Confident72.4Confident66 Ų66111.1 Ų111.146%0.46254%0.541SS..Hα-helixtrans-70.9-39.4174.5-168.70000112.3R623 W624 K630 Q631R623-S627 VanDerWaalsContact O-CB 3.28Å; R623-S627 WeakPolarHBondContact O-CB 3.32Å; R623-S627 PolarHBondContact O-N 3.44Å; W624-S627 CarbonylContact O-C 3.56Å; W624-S627 PolarHBondContact O-N 3.31Å; W624-S627 VanDerWaalsContact O-N 3.16Å; S627-K630 PolarHBondContact O-N 3.08Å; S627-Q631 PolarHBondContact O-N 3.1Å
628L79.3Confident71Confident81 Ų81111.3 Ų111.342%0.42455%0.551SS.*Hα-helixtrans-69.4-43.3177.2-168.6156.8000110.6W624 A625 Q631 K632W624-L628 HydrophobicContact CZ2-CD1 4.34Å; W624-L628 VanDerWaalsContact O-CB 3.31Å; W624-L628 WeakPolarHBondContact O-CB 3.23Å; W624-L628 PolarHBondContact O-N 2.85Å; A625-L628 PolarHBondContact O-N 3.11Å; L628-Q631 PolarHBondContact O-N 2.86Å; L628-K632 WeakPolarHBondContact O-CB 3.41Å; L628-K632 PolarHBondContact O-N 2.88Å
629N78.4Confident69.4Low88 Ų88116 Ų11647%0.47156%0.561SS.*Hα-helixtrans-66.6-34.5171-78.2-26.3000112.2A625 K632 E633A625-N629 WeakPolarHBondContact O-CB 3.44Å; A625-N629 PolarHBondContact O-N 3.31Å; N629-K632 PolarHBondContact O-N 3.4Å; N629-E633 WeakPolarHBondContact O-CB 3.18Å; N629-E633 WeakPolarHBondContact O-CG 3.12Å; N629-E633 PolarHBondContact O-N 2.92Å
630K79.9Confident67Low142 Ų142118 Ų11862%0.61757%0.572SS**Hα-helixtrans-65.6-41171.3-175175-180179.10111.8K626 S627 N634K626-K630 WeakPolarHBondContact O-CB 3.39Å; K626-K630 PolarHBondContact O-N 3.24Å; S627-K630 PolarHBondContact O-N 3.08Å; K630-N634 VanDerWaalsContact O-CB 3.23Å; K630-N634 WeakPolarHBondContact O-CB 3.26Å; K630-N634 VanDerWaalsContact O-CG 3.25Å; K630-N634 PolarHBondContact O-N 3.2Å; K630-N634 PolarHBondContact O-OD1 2.98Å; K630-N634 VanDerWaalsContact O-OD1 3.06Å
631Q68.4Low65.1Low142 Ų142118.9 Ų118.966%0.66458%0.583SS**Hα-helixtrans-63.2-41.9171.7-82.3-168-20.700111.6S627 L628 N634 F635S627-Q631 PolarHBondContact O-N 3.1Å; L628-Q631 PolarHBondContact O-N 2.86Å; Q631-N634 PolarHBondContact O-N 3.2Å; Q631-F635 WeakPolarHBondContact O-CB 3.24Å; Q631-F635 PolarHBondContact O-N 2.99Å
632K72.8Confident63.1Low126 Ų126121.2 Ų121.255%0.54860%0.597SS.*Hα-helixtrans-64.3-44.1178.1-170176.8-178.3179.30112.6L628 N629 F635 K636L628-K632 WeakPolarHBondContact O-CB 3.41Å; L628-K632 PolarHBondContact O-N 2.88Å; N629-K632 PolarHBondContact O-N 3.4Å; K632-F635 PolarHBondContact O-N 3.28Å; K632-K636 WeakPolarHBondContact O-CB 3.28Å; K632-K636 PolarHBondContact O-N 3.45Å
633E65.4Low60.6Low89 Ų89121.6 Ų121.642%0.41661%0.61SS.*Hα-helixtrans-73.5-31.3175.5-65-58.8130.700111.5N629 K636 S637N629-E633 WeakPolarHBondContact O-CB 3.18Å; N629-E633 WeakPolarHBondContact O-CG 3.12Å; N629-E633 PolarHBondContact O-N 2.92Å; E633-K636 CarbonylContact O-C 3.58Å; E633-K636 PolarHBondContact O-N 2.85Å; E633-K636 WeakPolarHBondContact OE1-CD 3.38Å; E633-K636 IonicContact OE1-NZ 3.51Å; E633-K636 PolarHBondContact OE1-NZ 3.41Å; E633-K636 IonicContact OE2-NZ 3.62Å; E633-K636 PolarHBondContact OE2-NZ 3.21Å; E633-S637 WeakPolarHBondContact O-CB 3.4Å; E633-S637 PolarHBondContact O-N 3.4Å; E633-S637 PolarHBondContact O-OG 3.01Å
634N62.8Low58.9Low95 Ų95122.1 Ų122.151%0.50862%0.62SS.*Hα-helixtrans-62.1-44.6167.5-8232000111.1K630 Q631 K636 S637 S638K630-N634 VanDerWaalsContact O-CB 3.23Å; K630-N634 WeakPolarHBondContact O-CB 3.26Å; K630-N634 VanDerWaalsContact O-CG 3.25Å; K630-N634 PolarHBondContact O-N 3.2Å; K630-N634 PolarHBondContact O-OD1 2.98Å; K630-N634 VanDerWaalsContact O-OD1 3.06Å; Q631-N634 PolarHBondContact O-N 3.2Å; N634-K636 PolarHBondContact O-N 3.27Å; N634-S637 WeakPolarHBondContact CA-OG 3.5Å; N634-S637 PolarHBondContact O-N 2.95Å; N634-S637 PolarHBondContact O-OG 3.42Å; N634-S638 VanDerWaalsContact O-CB 3.24Å; N634-S638 WeakPolarHBondContact O-CB 3.21Å; N634-S638 PolarHBondContact O-N 3.19Å
635F55.6Low57.7Low161 Ų161122 Ų12271%0.70663%0.627SS**Hα-helixtrans-63.6-23.3176.4-147.8-85.9000112.7Q631 K632 F639Q631-F635 WeakPolarHBondContact O-CB 3.24Å; Q631-F635 PolarHBondContact O-N 2.99Å; K632-F635 PolarHBondContact O-N 3.28Å; F635-F639 WeakPolarHBondContact O-CD2 3.34Å
636K58.8Low55.7Low125 Ų125129.7 Ų129.754%0.54366%0.655SS.*Hα-helixtrans-100.1-23-176.1-174.5176.8161.3-132.40113.7K632 E633 N634K632-K636 WeakPolarHBondContact O-CB 3.28Å; K632-K636 PolarHBondContact O-N 3.45Å; E633-K636 CarbonylContact O-C 3.58Å; E633-K636 PolarHBondContact O-N 2.85Å; E633-K636 WeakPolarHBondContact OE1-CD 3.38Å; E633-K636 IonicContact OE1-NZ 3.51Å; E633-K636 PolarHBondContact OE1-NZ 3.41Å; E633-K636 IonicContact OE2-NZ 3.62Å; E633-K636 PolarHBondContact OE2-NZ 3.21Å; N634-K636 PolarHBondContact O-N 3.27Å
637S47.2Very low53.5Low81 Ų81134.9 Ų134.957%0.56667%0.671SS**Hα-helixtrans-91.6-18170.150.20000112.9E633 N634 F639E633-S637 WeakPolarHBondContact O-CB 3.4Å; E633-S637 PolarHBondContact O-N 3.4Å; E633-S637 PolarHBondContact O-OG 3.01Å; N634-S637 WeakPolarHBondContact CA-OG 3.5Å; N634-S637 PolarHBondContact O-N 2.95Å; N634-S637 PolarHBondContact O-OG 3.42Å; S637-F639 PolarHBondContact O-N 2.94Å
638S44.8Very low51.8Low103 Ų103140.4 Ų140.472%0.7269%0.687SS**SBendtrans-69.7-2.2162-167.50000113N634N634-S638 VanDerWaalsContact O-CB 3.24Å; N634-S638 WeakPolarHBondContact O-CB 3.21Å; N634-S638 PolarHBondContact O-N 3.19Å
639F38.3Very low50Low157 Ų157145.3 Ų145.369%0.68971%0.707SS**  trans-109.7107.4161.1-80-88000109.1F635 S637F635-F639 WeakPolarHBondContact O-CD2 3.34Å; S637-F639 PolarHBondContact O-N 2.94Å
640Q37.9Very low48.2Very low176 Ų176146.6 Ų146.682%0.82273%0.731SS**  trans-96.6151.2152.1-78.4-158.9-13.600109.2
641P35.7Very low46.4Very low125 Ų125144.6 Ų144.681%0.81274%0.741SS**  trans-80.1130.6-164.130.6-35000113.1
642I29.8Very low45Very low162 Ų162142.4 Ų142.483%0.83175%0.747SS**  trans-113.3163.1153.4-72.6179.4000107.6
643S31Very low43.1Very low104 Ų104141.3 Ų141.373%0.72776%0.761SS**  trans-40.1143.3-162.840.50000118.5E645S643-E645 PolarHBondContact O-N 3.47Å
644Q39.4Very low41.9Very low193 Ų193145 Ų14590%0.90278%0.784SS**SBendtrans-86.185.3-178.6-179.4-164.1-33.100111.7
645E40.5Very low40.7Very low168 Ų168145.6 Ų145.679%0.78580%0.802SS**  trans-129.2-49.1175.9-150.763.9-113.400112.7S643 R647S643-E645 PolarHBondContact O-N 3.47Å; E645-R647 VanDerWaalsContact C-N 3.33Å; E645-R647 PolarHBondContact O-N 3.01Å
646E39.8Very low39.8Very low206 Ų206141.4 Ų141.496%0.96380%0.804SS**  trans-82.958.5-163.1-157.8177.5-148.800114.5
647R35.7Very low38.9Very low242 Ų242145 Ų14591%0.91382%0.82SS**  trans-139.222.2178.6-139.2-176.7-160.4160.110.9116.7E645E645-R647 VanDerWaalsContact C-N 3.33Å; E645-R647 PolarHBondContact O-N 3.01Å
648K46.3Very low38.4Very low183 Ų183147.8 Ų147.880%0.79683%0.834SS**  trans-130.984.3176.2-76.9-177.9172.5179.10112
649E41.8Very low38.2Very low183 Ų183150.3 Ų150.386%0.85584%0.838SS**  trans-152.7-3.7163.4-124.5156.6-136.100116.2A651E649-A651 PolarHBondContact O-N 3.48Å
650A40.3Very low37.9Very low116 Ų116152.8 Ų152.896%0.95985%0.849SS**THydrogen-bonded Turntrans-81.53917500000113.6
651A41.2Very low37.7Very low100 Ų100154 Ų15483%0.82686%0.855SS**THydrogen-bonded Turntrans-150.219.8-169.900000115.6E649E649-A651 PolarHBondContact O-N 3.48Å
652A39Very low37.5Very low96 Ų96158.3 Ų158.379%0.79386%0.861SS**  trans-121.377.7-17800000111.5
653A34Very low37.7Very low103 Ų103160.5 Ų160.585%0.85186%0.864SS**  trans-151.531.6-17600000114.3
654D39.5Very low37.6Very low167 Ų167160.5 Ų160.589%0.89387%0.871SS**  trans-152.954.6-176.9-148.4-1.3000113.2
655A37.4Very low37Very low107 Ų107155 Ų15588%0.88487%0.865SS**  trans-14554.4-173.500000112.8
656G38.4Very low36.2Very low73 Ų73155.4 Ų155.475%0.75387%0.872SS**  trans-153.420-172.100000117.5
657F38.8Very low35.6Very low201 Ų201152.7 Ų152.788%0.88286%0.864SS**SBendtrans-13939-172.4-155.8-101.9000115.2
658T36.1Very low35.1Very low139 Ų139152.2 Ų152.285%0.85386%0.862SS**SBendtrans-138.533.2-174.750.50000114.9
659L40.8Very low34.4Very low155 Ų155151.4 Ų151.481%0.81287%0.866SS**SBendtrans-148.319-176.8-121.6159.9000118
660F33.5Very low33.9Very low210 Ų210151.1 Ų151.192%0.92187%0.867SS**  trans-141.653.9173.4-93.4-68000115.2
661E31.8Very low33.3Very low201 Ų201154.4 Ų154.494%0.93986%0.862SS**  trans-124.379.5161.4-74.6-155.6136.100112.3
662K32.5Very low32.5Very low216 Ų216158.7 Ų158.794%0.93987%0.865SS**  trans-154.4109.3153.3-146.5167.4-173174.80111.6
663K34.5Very low31.9Very low208 Ų208160.6 Ų160.690%0.90487%0.867SS**  trans-124.5122-177.7174.6-175.5177.4179.90110.6
664A28.2Very low31.5Very low104 Ų104160.2 Ų160.286%0.8686%0.863SS**  trans160.5135.7148.700000109.3
665G27.4Very low30.8Very low76 Ų76164 Ų16478%0.78487%0.865SS**  trans170.442-179.600000120.9
666L24.3Very low30.2Very low178 Ų178163.6 Ų163.693%0.93285%0.854SS**  trans70.4148.9156.1-154.867.2000120.1
667D26.1Very low29.7Very low149 Ų149164 Ų16480%0.79785%0.851SS**  trans-73179.1172.2-85.3-68.5000115.2
668R25.9Very low29Very low231 Ų231162.2 Ų162.287%0.87285%0.845SS**  trans8992.2147.4-166.7-173.1-177.1169.91.8117.7
669L30.5Very low28.6Very low166 Ų166164.9 Ų164.987%0.86985%0.848SS**  -165.4141.4112.5-106.9167.6000112.5
670M30.8Very low27.9Very low178 Ų178166.1 Ų166.188%0.87785%0.85SS**  trans-140.4155.8168.2-170.5177-171.600107.3
671Q28.1Very low27.5Very low184 Ų184160 Ų16086%0.8684%0.838SS**  trans84.197.6162.1-162.6171.713.500119.4
672E24.3Very low26.9Very low190 Ų190158.4 Ų158.489%0.88884%0.835SS**  trans-160.3136.7150.2-118.5180156.500107
673V26.8Very low27.3Very low137 Ų137153.4 Ų153.483%0.8383%0.825SS**  cis-149.7163.7-14.7105.10000108.7
674A26.6Very low26.8Very low94 Ų94150.5 Ų150.578%0.77782%0.817SS**  trans-111.7168.7-173.600000114.6
675R24.6Very low26.7Very low246 Ų246152.2 Ų152.293%0.92881%0.812SS**  trans-154.6153.9160.9-148.8167.4177.9144.33.9114.9
676C23.6Very low26.6Very low99 Ų99154 Ų15467%0.66981%0.813SS**  trans-55.1157.9-173.8-50.80000116.4
677A28.1Very low26.7Very low83 Ų83149.9 Ų149.969%0.68681%0.805SS**  cis107.4-178.816.800000115.3
678E25.1Very low26.7Very low162 Ų162148.6 Ų148.676%0.75781%0.807SS**  trans73.2153.3-169-58.569.8-96.800114.5
679E26.4Very low26.8Very low195 Ų195142.8 Ų142.891%0.91180%0.802SS**  cis-140.2-139.88-156.3173.9-135.100112.9
680E26.3Very low26.9Very low181 Ų181141 Ų14185%0.84680%0.804SS**  trans-150.1-179.6-150.3-107.7-74.2158.800119.6
681A25.3Very low27Very low82 Ų82141.9 Ų141.968%0.67880%0.802SS**  trans103.1141.2153.100000123.8
682L20.3Very low27.2Very low168 Ų168139 Ų13988%0.8880%0.802SS**  trans-136.9-166.8177.3-78.8176.2000108.7
683P40.3Very low27.4Very low110 Ų110133.2 Ų133.271%0.71479%0.793SS**  cis-142.3-174.73.736.7-12.8000117.4
684I24.9Very low27.7Very low147 Ų147134.8 Ų134.875%0.75480%0.795SS**  trans158.4130.4130.6-81.6168000114.8
685N25.7Very low28.2Very low140 Ų140136.4 Ų136.475%0.74980%0.796SS**  trans41.5108.6156.7-63.6-0.5000124.9
686S25.3Very low28.6Very low114 Ų114128.8 Ų128.880%0.79779%0.785SS**  trans39.6106.5130.665.30000122.1
687A25.6Very low29.2Very low92 Ų92128.4 Ų128.476%0.7679%0.789SS**  171.9130.997.700000113.9
688S25.7Very low29.3Very low121 Ų121135.2 Ų135.285%0.84680%0.798SS**SBendtrans60.6134.1169.8710000119.1
689S29.6Very low29.6Very low110 Ų110132.3 Ų132.377%0.76980%0.796SS**  cis-156.287.7-22.2560000110.8
690S31Very low29.7Very low129 Ų129126.7 Ų126.790%0.90279%0.791SS**  trans45.4133.5157-53.80000121.8
691K33.7Very low29.5Very low195 Ų195125.4 Ų125.485%0.84879%0.79SS**  trans-153.8139.9-171-176.1178.9178.9-175.40112.7
692C32.7Very low29.9Very low125 Ų125126.2 Ų126.285%0.84579%0.79SS**  trans38114.8160.5-58.20000121.5
693G27.7Very low30.2Very low68 Ų68125.7 Ų125.770%0.70179%0.789SS**  trans-169.7153158.300000109
694L33.3Very low30.5Very low169 Ų169125.5 Ų125.589%0.88579%0.787SS**  cis76.3129.99-52.8179.1000116.8
695V36.3Very low31Very low129 Ų129126.6 Ų126.678%0.78279%0.789SS**  cis-160.5153.8-17.582.40000113.3
696A33.7Very low31.5Very low85 Ų85128.1 Ų128.170%0.70279%0.792SS**  trans50.6118.215800000123.8
697A37.2Very low31.7Very low92 Ų92125.7 Ų125.776%0.7679%0.785SS**  trans73.7161.9133.900000122.2
698Y28.9Very low32Very low225 Ų225128.6 Ų128.688%0.88279%0.793SS**  trans65149.8-179-87.1-118.7000116.4
699S30.8Very low32.2Very low101 Ų101126.3 Ų126.371%0.70679%0.789SS**  cis-175157.8-26.7-101.90000109
700G29Very low32.1Very low78 Ų78125.1 Ų125.180%0.80479%0.794SS**  trans124.2129.9150.600000119.3
701D23Very low32Very low154 Ų154122.5 Ų122.582%0.82479%0.787SS**  trans84.194131.5-118.85.9000123.1
702S33.8Very low31.9Very low98 Ų98122.8 Ų122.869%0.68579%0.791SS**  53.1108.8118-45.90000123.2
703D25.5Very low32.2Very low158 Ų158122.9 Ų122.985%0.84579%0.793SS**  60.9170.5127.2-107.41.1000121.4
704P47.7Very low32.6Very low105 Ų105126.9 Ų126.968%0.68280%0.799SS**  cis-135.2166.7-12.941.1-25000116.7
705E35.5Very low33.2Very low170 Ų170122.7 Ų122.779%0.79480%0.796SS**  trans47.3159.5138.1-76.8-65.6175.200127.4
706E36.3Very low33Very low172 Ų172118.3 Ų118.380%0.80478%0.777SS**  trans70.3150.7162.8-76.1-68.2179.600120.6
707G29.8Very low33.5Very low63 Ų63119.2 Ų119.265%0.64977%0.77SS**  trans172.5-59.7170.600000120.4
708V31.3Very low33.9Very low153 Ų153121.1 Ų121.193%0.92777%0.766SS**  trans65.1139.6-172.8-174.10000115.7
709G28.8Very low35.2Very low74 Ų74113.4 Ų113.476%0.76375%0.745SS**  trans-170.9-50.4176.300000118.3
710G27.4Very low36.4Very low85 Ų85111.5 Ų111.588%0.87673%0.727SS**  trans78130.3178.400000115.6
711G29Very low37.8Very low73 Ų73112.9 Ų112.975%0.75372%0.716SS**  trans178.121.3-175.600000119.5
712E32.2Very low40.1Very low201 Ų201112.9 Ų112.994%0.93971%0.709SS**  trans61.9165.8166.9-52.9-169.6134.500118.1
713S39.3Very low42.3Very low127 Ų127110 Ų11089%0.88869%0.685SS**  trans-106.3137.4-166.5-51.40000113.2
714D36.8Very low45.1Very low153 Ų153102.7 Ų102.782%0.81865%0.647SS**  trans-146.1131.2143.7-171.927.6000112.6
715G44.1Very low46.9Very low80 Ų8099.5 Ų99.583%0.82562%0.624SS**  trans-106.660.617400000110.3D717G715-D717 PolarHBondContact O-N 3.12Å
716G32.8Very low49.1Very low37 Ų3795.9 Ų95.938%0.38160%0.603SS.*  trans-60.8125.9-160.200000116.5L718G716-L718 VanDerWaalsContact C-N 3.27Å; G716-L718 PolarHBondContact O-N 2.88Å
717D45.3Very low51.5Low105 Ų10597.2 Ų97.256%0.56161%0.606SS**  trans-68.779.2167.3175.616.5000111.3G715 S719G715-D717 PolarHBondContact O-N 3.12Å; D717-S719 PolarHBondContact O-N 2.95Å; D717-S719 VanDerWaalsContact O-N 3.13Å; D717-S719 VanDerWaalsContact OD1-CB 3.28Å; D717-S719 WeakPolarHBondContact OD1-CB 3.29Å; D717-S719 PolarHBondContact OD1-N 2.89Å; D717-S719 VanDerWaalsContact OD1-N 3.1Å; D717-S719 PolarHBondContact OD1-OG 3.32Å
718L43.8Very low54.1Low131 Ų131100.8 Ų100.869%0.68660%0.603SS**THydrogen-bonded Turntrans-81.925.2176.4-64.1174.9000113G716 K722G716-L718 VanDerWaalsContact C-N 3.27Å; G716-L718 PolarHBondContact O-N 2.88Å; L718-K722 WeakPolarHBondContact O-CD 3.31Å; L718-K722 WeakPolarHBondContact O-CE 3.24Å; L718-K722 PolarHBondContact O-NZ 2.86Å
719S57.8Low56.7Low63 Ų6395.4 Ų95.444%0.44157%0.569SS.*THydrogen-bonded Turntrans-107.6-31.2-175.685.10000114.4D717D717-S719 PolarHBondContact O-N 2.95Å; D717-S719 VanDerWaalsContact O-N 3.13Å; D717-S719 VanDerWaalsContact OD1-CB 3.28Å; D717-S719 WeakPolarHBondContact OD1-CB 3.29Å; D717-S719 PolarHBondContact OD1-N 2.89Å; D717-S719 VanDerWaalsContact OD1-N 3.1Å; D717-S719 PolarHBondContact OD1-OG 3.32Å
720L54.4Low59.5Low61 Ų6192.3 Ų92.332%0.31954%0.536SS..SBendtrans-82.8-45.7-172.3-164.564.2000113.3K722 L723 L758L720-K722 VanDerWaalsContact C-N 3.3Å; L720-K722 PolarHBondContact O-N 2.92Å; L720-L723 WeakPolarHBondContact O-CA 3.34Å; L720-L723 WeakPolarHBondContact O-CB 3.4Å; L720-L723 PolarHBondContact O-N 3.43Å; L720-L758 HydrophobicContact CD1-CD1 4.44Å
721D60.1Low62.5Low108 Ų10888.3 Ų88.358%0.57849%0.494SS*.G310 helixtrans-65.7-29.4-175.2-100.5-25.2000113.9L723 T724 W726D721-L723 PolarHBondContact O-N 3.31Å; D721-T724 PolarHBondContact O-N 3.47Å; D721-W726 PolarHBondContact OD1-NE1 3.48Å
722K71.3Confident65.2Low154 Ų15488.9 Ų88.967%0.6748%0.48SS*.G310 helixtrans-65.8-3.8174.4-66.5171.9-175149.70113.1L718 L720L718-K722 WeakPolarHBondContact O-CD 3.31Å; L718-K722 WeakPolarHBondContact O-CE 3.24Å; L718-K722 PolarHBondContact O-NZ 2.86Å; L720-K722 VanDerWaalsContact C-N 3.3Å; L720-K722 PolarHBondContact O-N 2.92Å
723L78.4Confident67.8Low37 Ų3780.5 Ų80.519%0.19444%0.441CS..G310 helixtrans-121.8-4.2-167.1-146.251.1000112.8L720 D721 L732 L733 L761L720-L723 WeakPolarHBondContact O-CA 3.34Å; L720-L723 WeakPolarHBondContact O-CB 3.4Å; L720-L723 PolarHBondContact O-N 3.43Å; D721-L723 PolarHBondContact O-N 3.31Å; L723-L732 WeakPolarHBondContact O-CB 3.21Å; L723-L732 PolarHBondContact O-N 3.44Å; L723-L733 HydrophobicContact CD1-CG 4.01Å; L723-L733 HydrophobicContact CD2-CD1 3.34Å; L723-L733 HydrophobicContact CD2-CD2 4.4Å; L723-L733 HydrophobicContact CD2-CG 3.57Å; L723-L733 HydrophobicContact CG-CB 4.37Å; L723-L733 HydrophobicContact CG-CD1 3.77Å; L723-L733 HydrophobicContact CG-CG 3.61Å; L723-L761 HydrophobicContact CD1-CD2 4.42Å; L723-L761 HydrophobicContact CD2-CD2 3.68Å
724T85Confident70.1Confident5 Ų575 Ų753%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-128.4108.1173.6430000110.2D721 W726 A730 L744D721-T724 PolarHBondContact O-N 3.47Å; T724-W726 PolarHBondContact O-N 3.46Å; T724-A730 CarbonylContact C-O 3.55Å; T724-A730 WeakPolarHBondContact CA-O 3.45Å; T724-L744 HydrophobicContact CG2-CD1 4.42Å
725D86.3Confident72.5Confident37 Ų3778.9 Ų78.920%0.19841%0.406CS..EExtended strand (participates in β ladder)trans-75.995.8174-176.6-22.6000109.1K727 K728 M729 A730 L732D725-K727 PolarHBondContact O-N 3.39Å; D725-K727 WeakPolarHBondContact OD1-CA 3.3Å; D725-K727 WeakPolarHBondContact OD1-CB 3.39Å; D725-K727 PolarHBondContact OD1-N 3.36Å; D725-K728 HydrophobicContact CB-CB 4.4Å; D725-K728 PolarHBondContact O-N 3.11Å; D725-K728 PolarHBondContact OD1-N 3.45Å; D725-K728 WeakPolarHBondContact OD2-CD 3.29Å; D725-K728 WeakPolarHBondContact OD2-CG 3.33Å; D725-K728 IonicContact OD2-NZ 3.58Å; D725-M729 WeakPolarHBondContact O-CA 3.25Å; D725-M729 PolarHBondContact O-N 3.2Å; D725-A730 HydrophobicContact CB-CB 4.31Å; D725-A730 PolarHBondContact N-O 3.4Å; D725-A730 PolarHBondContact O-N 3.31Å; D725-L732 HydrophobicContact CB-CD2 4.25Å; D725-L732 HydrophobicContact CB-CG 4.5Å
726W81.9Confident74.5Confident95 Ų9581.2 Ų81.236%0.3639%0.39SS..THydrogen-bonded Turntrans-67.7-7.4177-63.7109.7000114.5D721 T724 K741 L744 V745D721-W726 PolarHBondContact OD1-NE1 3.48Å; T724-W726 PolarHBondContact O-N 3.46Å; W726-K741 HydrophobicContact CE3-CD 4.42Å; W726-K741 HydrophobicContact CE3-CG 4.17Å; W726-K741 HydrophobicContact CZ3-CD 4.2Å; W726-K741 VanDerWaalsContact CZ3-CE 3.42Å; W726-K741 HydrophobicContact CZ3-CG 3.79Å; W726-L744 HydrophobicContact CE3-CD2 3.99Å; W726-L744 HydrophobicContact CZ3-CD2 4.08Å; W726-V745 HydrophobicContact CH2-CG2 3.97Å; W726-V745 HydrophobicContact CZ3-CG2 4.04Å
727K85.9Confident77.2Confident199 Ų19986.6 Ų86.687%0.86541%0.405SS*.THydrogen-bonded Turntrans-93.7-35.2174.4-65.1-176.4178.5-178.80111.8D725D725-K727 PolarHBondContact O-N 3.39Å; D725-K727 WeakPolarHBondContact OD1-CA 3.3Å; D725-K727 WeakPolarHBondContact OD1-CB 3.39Å; D725-K727 PolarHBondContact OD1-N 3.36Å
728K83.8Confident79.3Confident138 Ų13883.6 Ų83.660%0.639%0.387SS*.THydrogen-bonded Turntrans-97.27.4175.3-59.3179.5-164.8153.20113.3D725 A730D725-K728 HydrophobicContact CB-CB 4.4Å; D725-K728 PolarHBondContact O-N 3.11Å; D725-K728 PolarHBondContact OD1-N 3.45Å; D725-K728 WeakPolarHBondContact OD2-CD 3.29Å; D725-K728 WeakPolarHBondContact OD2-CG 3.33Å; D725-K728 IonicContact OD2-NZ 3.58Å; K728-A730 HydrophobicContact CB-CB 4.15Å; K728-A730 PolarHBondContact O-N 2.85Å
729M86.8Confident81.4Confident40 Ų4083.1 Ų83.120%0.19739%0.392CS..THydrogen-bonded Turntrans49.539.7-176.3-50-42-59.300112.6D725 F738 K741D725-M729 WeakPolarHBondContact O-CA 3.25Å; D725-M729 PolarHBondContact O-N 3.2Å; M729-F738 WeakPolarHBondContact CB-O 3.38Å; M729-F738 PolarHBondContact O-N 2.67Å; M729-K741 HydrophobicContact CE-CB 3.54Å; M729-K741 HydrophobicContact CE-CG 3.87Å
730A86.6Confident82.9Confident9 Ų984.7 Ų84.77%0.07440%0.396CS..EExtended strand (participates in β ladder)trans-120.2134.1-163.600000113.6T724 D725 K728 R736 Q737T724-A730 CarbonylContact C-O 3.55Å; T724-A730 WeakPolarHBondContact CA-O 3.45Å; D725-A730 HydrophobicContact CB-CB 4.31Å; D725-A730 PolarHBondContact N-O 3.4Å; D725-A730 PolarHBondContact O-N 3.31Å; K728-A730 HydrophobicContact CB-CB 4.15Å; K728-A730 PolarHBondContact O-N 2.85Å; A730-R736 CarbonylContact C-O 3.51Å; A730-R736 VanDerWaalsContact CA-O 3.24Å; A730-R736 WeakPolarHBondContact CA-O 3.35Å; A730-Q737 HydrophobicContact CB-CG 3.88Å
731C90.8Very high84.6Confident1 Ų188.1 Ų88.11%0.00741%0.408CS..EExtended strand (participates in β ladder)trans-86.7114.6168.9-178.50000109.4C734 R735 R736 F738 L744 H754C731-C734 HydrophobicContact CB-CB 4.17Å; C731-C734 PolarHBondContact O-N 2.72Å; C731-R735 WeakPolarHBondContact O-CA 3.18Å; C731-R735 PolarHBondContact O-N 3.09Å; C731-R736 PolarHBondContact N-O 2.78Å; C731-R736 PolarHBondContact O-N 3.03Å; C731-F738 HydrophobicContact CB-CE2 4.34Å; C731-L744 HydrophobicContact CB-CD1 3.74Å; C731-H754 PolarHBondContact SG-ND1 3.3Å
732L86.1Confident85.9Confident85 Ų8588.8 Ų88.845%0.44541%0.407SS..THydrogen-bonded Turntrans-74-33.7-177-57.5179.5000111.7L723 D725 C734 R735L723-L732 WeakPolarHBondContact O-CB 3.21Å; L723-L732 PolarHBondContact O-N 3.44Å; D725-L732 HydrophobicContact CB-CD2 4.25Å; D725-L732 HydrophobicContact CB-CG 4.5Å; L732-C734 VanDerWaalsContact C-N 3.29Å; L732-C734 PolarHBondContact O-N 3.28Å; L732-R735 PolarHBondContact O-N 3.42Å
733L86.5Confident86.8Confident25 Ų2582.2 Ų82.213%0.13138%0.383CS..THydrogen-bonded Turntrans-54.3-41.9169.5-99.4168.7000113.1L723 N757 L758 L761L723-L733 HydrophobicContact CD1-CG 4.01Å; L723-L733 HydrophobicContact CD2-CD1 3.34Å; L723-L733 HydrophobicContact CD2-CD2 4.4Å; L723-L733 HydrophobicContact CD2-CG 3.57Å; L723-L733 HydrophobicContact CG-CB 4.37Å; L723-L733 HydrophobicContact CG-CD1 3.77Å; L723-L733 HydrophobicContact CG-CG 3.61Å; L733-N757 HydrophobicContact CD2-CB 3.75Å; L733-N757 WeakPolarHBondContact CD2-O 3.26Å; L733-N757 PolarHBondContact O-ND2 2.95Å; L733-L758 HydrophobicContact CD1-CB 3.78Å; L733-L758 HydrophobicContact CD1-CD1 4Å; L733-L758 HydrophobicContact CD1-CG 4.1Å; L733-L761 HydrophobicContact CD2-CB 4.28Å; L733-L761 HydrophobicContact CD2-CD2 4.14Å
734C87.6Confident87.4Confident12 Ų1280.4 Ų80.48%0.08137%0.374CS..THydrogen-bonded Turntrans-98.8-9.1-175.7-67.40000113.6C731 L732 R736 H747 L753 H754C731-C734 HydrophobicContact CB-CB 4.17Å; C731-C734 PolarHBondContact O-N 2.72Å; L732-C734 VanDerWaalsContact C-N 3.29Å; L732-C734 PolarHBondContact O-N 3.28Å; C734-R736 VanDerWaalsContact C-N 3.27Å; C734-R736 HydrophobicContact CB-CB 4.42Å; C734-R736 HydrophobicContact CB-CG 4.32Å; C734-R736 PolarHBondContact O-N 2.66Å; C734-H747 VanDerWaalsContact CB-NE2 3.27Å; C734-H747 WeakPolarHBondContact CB-NE2 3.48Å; C734-H747 PolarHBondContact SG-NE2 2.9Å; C734-L753 HydrophobicContact CB-CD2 4.47Å; C734-H754 WeakPolarHBondContact SG-CA 3.35Å
735R86.7Confident87.7Confident234 Ų23482 Ų8288%0.88338%0.384SS*.THydrogen-bonded Turntrans50.144.5-171.7-57-177.2-179.1-176-0.7112.5C731 L732C731-R735 WeakPolarHBondContact O-CA 3.18Å; C731-R735 PolarHBondContact O-N 3.09Å; L732-R735 PolarHBondContact O-N 3.42Å
736R87.4Confident87.9Confident129 Ų12986.6 Ų86.649%0.48740%0.398SS..EExtended strand (participates in β ladder)trans-123.9129.5-178.7-72.7175.2-173.1-130.7-0.2111A730 C731 C734 F738A730-R736 CarbonylContact C-O 3.51Å; A730-R736 VanDerWaalsContact CA-O 3.24Å; A730-R736 WeakPolarHBondContact CA-O 3.35Å; C731-R736 PolarHBondContact N-O 2.78Å; C731-R736 PolarHBondContact O-N 3.03Å; C734-R736 VanDerWaalsContact C-N 3.27Å; C734-R736 HydrophobicContact CB-CB 4.42Å; C734-R736 HydrophobicContact CB-CG 4.32Å; C734-R736 PolarHBondContact O-N 2.66Å; R736-F738 HydrophobicContact CB-CE2 3.63Å; R736-F738 HydrophobicContact CB-CZ 3.77Å; R736-F738 WeakPolarHBondContact O-CE2 3.49Å
737Q89.4Confident88.4Confident151 Ų15182.9 Ų82.971%0.70639%0.385SS*.EExtended strand (participates in β ladder)trans-88149.2166.7-67171-2.500109.5A730A730-Q737 HydrophobicContact CB-CG 3.88Å
738F89.5Confident88.6Confident42 Ų4275 Ų7518%0.18435%0.351CS..  trans-127.7145.5177.7-65.5-88.6000109.8M729 C731 R736 N740 L744 H747M729-F738 WeakPolarHBondContact CB-O 3.38Å; M729-F738 PolarHBondContact O-N 2.67Å; C731-F738 HydrophobicContact CB-CE2 4.34Å; R736-F738 HydrophobicContact CB-CE2 3.63Å; R736-F738 HydrophobicContact CB-CZ 3.77Å; R736-F738 WeakPolarHBondContact O-CE2 3.49Å; F738-N740 VanDerWaalsContact C-N 3.33Å; F738-N740 PolarHBondContact O-N 3.22Å; F738-L744 HydrophobicContact CB-CB 4.29Å; F738-L744 HydrophobicContact CD2-CB 4.16Å; F738-L744 HydrophobicContact CD2-CD1 3.78Å; F738-L744 HydrophobicContact CE2-CD1 4.13Å; F738-L744 HydrophobicContact CG-CB 4.37Å; F738-H747 HydrophobicContact CD1-CB 4.44Å; F738-H747 HydrophobicContact CE1-CB 3.71Å; F738-H747 AromaticContact CE1-CG 3.86Å; F738-H747 HydrophobicContact CE2-CB 3.99Å; F738-H747 AromaticContact CE2-CD2 3.46Å; F738-H747 VanDerWaalsContact CE2-CD2 3.46Å; F738-H747 WeakPolarHBondContact CE2-CD2 3.4Å; F738-H747 AromaticContact CE2-CG 3.7Å; F738-H747 HydrophobicContact CZ-CB 3.47Å; F738-H747 VanDerWaalsContact CZ-CB 3.47Å; F738-H747 AromaticContact CZ-CD2 3.37Å; F738-H747 WeakPolarHBondContact CZ-CD2 3.37Å; F738-H747 AromaticContact CZ-CE1 3.92Å; F738-H747 AromaticContact CZ-CG 3.16Å; F738-H747 AromaticContact CZ-ND1 3.53Å; F738-H747 AromaticContact CZ-NE2 3.83Å
739P86.9Confident88.8Confident121 Ų12174 Ų7479%0.78635%0.349SS*.SBendtrans-69.5-30.9-178.327.8-35000112.9
740N90.4Very high88.7Confident96 Ų9677.8 Ų77.851%0.51337%0.369SS..SBendtrans-127.8150.2-173.6-60.736.2000111F738 E742 G743 L744F738-N740 VanDerWaalsContact C-N 3.33Å; F738-N740 PolarHBondContact O-N 3.22Å; N740-E742 VanDerWaalsContact C-N 3.3Å; N740-E742 PolarHBondContact O-N 3.46Å; N740-G743 WeakPolarHBondContact O-CA 3.32Å; N740-G743 PolarHBondContact O-N 2.88Å; N740-L744 PolarHBondContact O-N 2.89Å
741K89.1Confident89Confident132 Ų13278.7 Ų78.757%0.57438%0.375SS*.Hα-helixtrans-54.8-43.4175.4-169.8176.9-179.4179.50112.6W726 M729 G743 L744 V745W726-K741 HydrophobicContact CE3-CD 4.42Å; W726-K741 HydrophobicContact CE3-CG 4.17Å; W726-K741 HydrophobicContact CZ3-CD 4.2Å; W726-K741 VanDerWaalsContact CZ3-CE 3.42Å; W726-K741 HydrophobicContact CZ3-CG 3.79Å; M729-K741 HydrophobicContact CE-CB 3.54Å; M729-K741 HydrophobicContact CE-CG 3.87Å; K741-G743 PolarHBondContact O-N 3.4Å; K741-L744 WeakPolarHBondContact O-CB 3.41Å; K741-L744 PolarHBondContact O-N 3.47Å; K741-V745 WeakPolarHBondContact O-CG2 3.47Å; K741-V745 PolarHBondContact O-N 3.07Å
742E88.6Confident89Confident122 Ų12283.5 Ų83.557%0.5740%0.4SS*.Hα-helixtrans-61.3-30.8174.5-60.9173.5-162.900113.7N740 R746N740-E742 VanDerWaalsContact C-N 3.3Å; N740-E742 PolarHBondContact O-N 3.46Å; E742-R746 VanDerWaalsContact O-CB 3.22Å; E742-R746 WeakPolarHBondContact O-CB 3.48Å; E742-R746 VanDerWaalsContact O-CG 3.3Å; E742-R746 WeakPolarHBondContact O-CG 3.31Å; E742-R746 PolarHBondContact O-N 3.06Å; E742-R746 PolarHBondContact O-NE 2.84Å; E742-R746 IonicContact OE2-CZ 3.96Å; E742-R746 IonicContact OE2-NH2 2.79Å; E742-R746 PolarHBondContact OE2-NH2 3.25Å
743G89.8Confident89.1Confident16 Ų1682.4 Ų82.417%0.16539%0.394CS..Hα-helixtrans-68.5-42176.600000111.3N740 K741 H747N740-G743 WeakPolarHBondContact O-CA 3.32Å; N740-G743 PolarHBondContact O-N 2.88Å; K741-G743 PolarHBondContact O-N 3.4Å; G743-H747 VanDerWaalsContact O-CB 3.22Å; G743-H747 WeakPolarHBondContact O-CB 3.49Å; G743-H747 PolarHBondContact O-N 2.92Å
744L91.1Very high89.2Confident0 Ų081.5 Ų81.50%039%0.39CS..Hα-helixtrans-63.7-46.3172.5178.764.3000111.6T724 W726 C731 F738 N740 K741 H747 Q748T724-L744 HydrophobicContact CG2-CD1 4.42Å; W726-L744 HydrophobicContact CE3-CD2 3.99Å; W726-L744 HydrophobicContact CZ3-CD2 4.08Å; C731-L744 HydrophobicContact CB-CD1 3.74Å; F738-L744 HydrophobicContact CB-CB 4.29Å; F738-L744 HydrophobicContact CD2-CB 4.16Å; F738-L744 HydrophobicContact CD2-CD1 3.78Å; F738-L744 HydrophobicContact CE2-CD1 4.13Å; F738-L744 HydrophobicContact CG-CB 4.37Å; N740-L744 PolarHBondContact O-N 2.89Å; K741-L744 WeakPolarHBondContact O-CB 3.41Å; K741-L744 PolarHBondContact O-N 3.47Å; L744-H747 WeakPolarHBondContact O-CB 3.42Å; L744-H747 PolarHBondContact O-N 3.4Å; L744-Q748 WeakPolarHBondContact O-CB 3.47Å; L744-Q748 PolarHBondContact O-N 3.42Å
745V90.4Very high89.3Confident38 Ų3885.7 Ų85.723%0.2341%0.407CS..Hα-helixtrans-65.5-46.3179.6172.90000111.6W726 K741 H747 Q748 Q749W726-V745 HydrophobicContact CH2-CG2 3.97Å; W726-V745 HydrophobicContact CZ3-CG2 4.04Å; K741-V745 WeakPolarHBondContact O-CG2 3.47Å; K741-V745 PolarHBondContact O-N 3.07Å; V745-H747 VanDerWaalsContact C-N 3.27Å; V745-H747 PolarHBondContact O-N 2.87Å; V745-Q748 WeakPolarHBondContact O-CB 3.49Å; V745-Q748 PolarHBondContact O-N 3.5Å; V745-Q749 WeakPolarHBondContact O-CG 3.44Å; V745-Q749 PolarHBondContact O-N 2.95Å
746R90.3Very high89.4Confident134 Ų13481 Ų8151%0.50639%0.392SS..Hα-helixtrans-61.3-36173.5-77-179.5-91.4148.7-14.9111.7E742 L750E742-R746 VanDerWaalsContact O-CB 3.22Å; E742-R746 WeakPolarHBondContact O-CB 3.48Å; E742-R746 VanDerWaalsContact O-CG 3.3Å; E742-R746 WeakPolarHBondContact O-CG 3.31Å; E742-R746 PolarHBondContact O-N 3.06Å; E742-R746 PolarHBondContact O-NE 2.84Å; E742-R746 IonicContact OE2-CZ 3.96Å; E742-R746 IonicContact OE2-NH2 2.79Å; E742-R746 PolarHBondContact OE2-NH2 3.25Å; R746-L750 VanDerWaalsContact O-CB 3.24Å; R746-L750 WeakPolarHBondContact O-CB 3.35Å; R746-L750 PolarHBondContact O-N 2.77Å
747H91.8Very high89.5Confident16 Ų1677.4 Ų77.47%0.07438%0.383CS..Hα-helixtrans-64.9-44.8173.5173.669.9000112.4C734 F738 G743 L744 V745 Q749 S751C734-H747 VanDerWaalsContact CB-NE2 3.27Å; C734-H747 WeakPolarHBondContact CB-NE2 3.48Å; C734-H747 PolarHBondContact SG-NE2 2.9Å; F738-H747 HydrophobicContact CD1-CB 4.44Å; F738-H747 HydrophobicContact CE1-CB 3.71Å; F738-H747 AromaticContact CE1-CG 3.86Å; F738-H747 HydrophobicContact CE2-CB 3.99Å; F738-H747 AromaticContact CE2-CD2 3.46Å; F738-H747 VanDerWaalsContact CE2-CD2 3.46Å; F738-H747 WeakPolarHBondContact CE2-CD2 3.4Å; F738-H747 AromaticContact CE2-CG 3.7Å; F738-H747 HydrophobicContact CZ-CB 3.47Å; F738-H747 VanDerWaalsContact CZ-CB 3.47Å; F738-H747 AromaticContact CZ-CD2 3.37Å; F738-H747 WeakPolarHBondContact CZ-CD2 3.37Å; F738-H747 AromaticContact CZ-CE1 3.92Å; F738-H747 AromaticContact CZ-CG 3.16Å; F738-H747 AromaticContact CZ-ND1 3.53Å; F738-H747 AromaticContact CZ-NE2 3.83Å; G743-H747 VanDerWaalsContact O-CB 3.22Å; G743-H747 WeakPolarHBondContact O-CB 3.49Å; G743-H747 PolarHBondContact O-N 2.92Å; L744-H747 WeakPolarHBondContact O-CB 3.42Å; L744-H747 PolarHBondContact O-N 3.4Å; V745-H747 VanDerWaalsContact C-N 3.27Å; V745-H747 PolarHBondContact O-N 2.87Å; H747-Q749 PolarHBondContact O-N 3.5Å; H747-S751 PolarHBondContact CE1-OG 3.12Å; H747-S751 WeakPolarHBondContact ND1-CB 3.36Å; H747-S751 PolarHBondContact ND1-OG 3.28Å; H747-S751 WeakPolarHBondContact O-CB 3.17Å; H747-S751 PolarHBondContact O-N 2.95Å
748Q90.5Very high89.4Confident33 Ų3371.9 Ų71.915%0.15436%0.358CS..Hα-helixtrans-59.5-45.8177.1-169.3175.621.300111.7L744 V745 H754L744-Q748 WeakPolarHBondContact O-CB 3.47Å; L744-Q748 PolarHBondContact O-N 3.42Å; V745-Q748 WeakPolarHBondContact O-CB 3.49Å; V745-Q748 PolarHBondContact O-N 3.5Å; Q748-H754 PolarHBondContact O-CD2 2.88Å
749Q88.6Confident89.2Confident118 Ų11873.8 Ų73.855%0.55137%0.368SS*.Hα-helixtrans-76.6-39.3-177.5-67.6171.3-12.600113.7V745 H747 K755V745-Q749 WeakPolarHBondContact O-CG 3.44Å; V745-Q749 PolarHBondContact O-N 2.95Å; H747-Q749 PolarHBondContact O-N 3.5Å; Q749-K755 WeakPolarHBondContact O-CE 3.43Å; Q749-K755 PolarHBondContact O-NZ 2.86Å
750L85.1Confident89.2Confident120 Ų12072.8 Ų72.863%0.62836%0.359SS*.Hα-helixtrans-111.2-17.5-166.6-55.3177.6000114.5R746 D752R746-L750 VanDerWaalsContact O-CB 3.24Å; R746-L750 WeakPolarHBondContact O-CB 3.35Å; R746-L750 PolarHBondContact O-N 2.77Å; L750-D752 PolarHBondContact O-N 3.05Å
751S92.8Very high88.9Confident28 Ų2870.7 Ų70.720%0.19635%0.347CS..  trans-80.2119.6-174.5-165.40000113.2H747 L753 H754 K755H747-S751 PolarHBondContact CE1-OG 3.12Å; H747-S751 WeakPolarHBondContact ND1-CB 3.36Å; H747-S751 PolarHBondContact ND1-OG 3.28Å; H747-S751 WeakPolarHBondContact O-CB 3.17Å; H747-S751 PolarHBondContact O-N 2.95Å; S751-L753 PolarHBondContact O-N 2.93Å; S751-H754 WeakPolarHBondContact O-CB 3.36Å; S751-H754 PolarHBondContact O-N 3.3Å; S751-K755 PolarHBondContact O-N 2.95Å
752D89.8Confident88.6Confident102 Ų10270.8 Ų70.855%0.54534%0.344SS..Hα-helixtrans-57.1-29.7172-63.9-21.6000113.2L750 K756L750-D752 PolarHBondContact O-N 3.05Å; D752-K756 VanDerWaalsContact O-CB 3.26Å; D752-K756 WeakPolarHBondContact O-CB 3.26Å; D752-K756 WeakPolarHBondContact O-CD 3.42Å; D752-K756 WeakPolarHBondContact O-CG 3.48Å; D752-K756 PolarHBondContact O-N 2.97Å
753L89.2Confident88.4Confident61 Ų6168.5 Ų68.532%0.31933%0.331SS..Hα-helixtrans-68.9-39.5175.1-176.166.1000111.2C734 S751 N757C734-L753 HydrophobicContact CB-CD2 4.47Å; S751-L753 PolarHBondContact O-N 2.93Å; L753-N757 VanDerWaalsContact O-CB 3.32Å; L753-N757 WeakPolarHBondContact O-CB 3.46Å; L753-N757 PolarHBondContact O-N 3.25Å; L753-N757 PolarHBondContact O-OD1 3.01Å
754H87.7Confident87.8Confident7 Ų772 Ų723%0.03235%0.352CS..Hα-helixtrans-64.8-48.7175-174.381.3000110.5C731 C734 Q748 S751 K756 N757 L758C731-H754 PolarHBondContact SG-ND1 3.3Å; C734-H754 WeakPolarHBondContact SG-CA 3.35Å; Q748-H754 PolarHBondContact O-CD2 2.88Å; S751-H754 WeakPolarHBondContact O-CB 3.36Å; S751-H754 PolarHBondContact O-N 3.3Å; H754-K756 PolarHBondContact O-N 3.19Å; H754-N757 PolarHBondContact O-N 3.01Å; H754-L758 WeakPolarHBondContact O-CB 3.49Å; H754-L758 PolarHBondContact O-N 3.3Å
755K90.6Very high87.3Confident100 Ų10078.7 Ų78.744%0.43538%0.381SS..Hα-helixtrans-57.1-47.8177-67.1169.2-177.7169.30111.9Q749 S751 L758 E759Q749-K755 WeakPolarHBondContact O-CE 3.43Å; Q749-K755 PolarHBondContact O-NZ 2.86Å; S751-K755 PolarHBondContact O-N 2.95Å; K755-L758 PolarHBondContact O-N 2.82Å; K755-E759 WeakPolarHBondContact O-CB 3.24Å; K755-E759 PolarHBondContact O-N 2.86Å
756K88.3Confident86.5Confident134 Ų13480.3 Ų80.358%0.58339%0.387SS*.Hα-helixtrans-65.9-43.7178.8-73.5164.7-174.7166.60112.8D752 H754 L758 E759 V760D752-K756 VanDerWaalsContact O-CB 3.26Å; D752-K756 WeakPolarHBondContact O-CB 3.26Å; D752-K756 WeakPolarHBondContact O-CD 3.42Å; D752-K756 WeakPolarHBondContact O-CG 3.48Å; D752-K756 PolarHBondContact O-N 2.97Å; H754-K756 PolarHBondContact O-N 3.19Å; K756-L758 VanDerWaalsContact C-N 3.34Å; K756-E759 PolarHBondContact O-N 3.13Å; K756-V760 WeakPolarHBondContact O-CG2 3.4Å; K756-V760 PolarHBondContact O-N 3.45Å
757N89.8Confident86.1Confident55 Ų5577 Ų7729%0.29439%0.385SS..Hα-helixtrans-68.8-35.8178.5-69.212.9000111.5L733 L753 H754 L761L733-N757 HydrophobicContact CD2-CB 3.75Å; L733-N757 WeakPolarHBondContact CD2-O 3.26Å; L733-N757 PolarHBondContact O-ND2 2.95Å; L753-N757 VanDerWaalsContact O-CB 3.32Å; L753-N757 WeakPolarHBondContact O-CB 3.46Å; L753-N757 PolarHBondContact O-N 3.25Å; L753-N757 PolarHBondContact O-OD1 3.01Å; H754-N757 PolarHBondContact O-N 3.01Å; N757-L761 WeakPolarHBondContact O-CB 3.34Å; N757-L761 PolarHBondContact O-N 3.03Å
758L87.4Confident85.1Confident34 Ų3484.8 Ų84.818%0.17842%0.421CS..Hα-helixtrans-67.3-38.5175.2-169.4148.8000111.2L720 L733 H754 K755 K756 L761 R762L720-L758 HydrophobicContact CD1-CD1 4.44Å; L733-L758 HydrophobicContact CD1-CB 3.78Å; L733-L758 HydrophobicContact CD1-CD1 4Å; L733-L758 HydrophobicContact CD1-CG 4.1Å; H754-L758 WeakPolarHBondContact O-CB 3.49Å; H754-L758 PolarHBondContact O-N 3.3Å; K755-L758 PolarHBondContact O-N 2.82Å; K756-L758 VanDerWaalsContact C-N 3.34Å; L758-L761 WeakPolarHBondContact O-CB 3.21Å; L758-L761 PolarHBondContact O-N 3.29Å; L758-R762 HydrophobicContact CD2-CG 4.28Å; L758-R762 VanDerWaalsContact CD2-CZ 3.49Å; L758-R762 WeakPolarHBondContact O-CG 3.49Å; L758-R762 PolarHBondContact O-N 3.18Å
759E85.7Confident84.3Confident82 Ų8286.9 Ų86.938%0.38344%0.444SS..Hα-helixtrans-71-37.2175.9-159.953.8-120.300112.6K755 K756 L761 R762 R763K755-E759 WeakPolarHBondContact O-CB 3.24Å; K755-E759 PolarHBondContact O-N 2.86Å; K756-E759 PolarHBondContact O-N 3.13Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 3.3Å; E759-R762 WeakPolarHBondContact O-CB 3.23Å; E759-R762 PolarHBondContact O-N 3.2Å; E759-R762 WeakPolarHBondContact OE1-CD 3.01Å; E759-R762 VanDerWaalsContact OE2-CD 3.29Å; E759-R762 WeakPolarHBondContact OE2-CD 3.4Å; E759-R762 IonicContact OE2-CZ 3.94Å; E759-R762 IonicContact OE2-NE 2.67Å; E759-R762 IonicContact OE2-NH1 3.67Å; E759-R762 PolarHBondContact OE2-NH1 2.99Å; E759-R763 WeakPolarHBondContact O-CB 3.42Å; E759-R763 WeakPolarHBondContact O-CG 3.44Å; E759-R763 PolarHBondContact O-N 3.41Å
760V86.3Confident83.9Confident100 Ų10085.1 Ų85.161%0.60644%0.436SS*.Hα-helixtrans-60.9-41168.3169.70000110.8K756 R763 S764K756-V760 WeakPolarHBondContact O-CG2 3.4Å; K756-V760 PolarHBondContact O-N 3.45Å; V760-R763 PolarHBondContact O-N 2.81Å; V760-S764 WeakPolarHBondContact O-CB 3.25Å; V760-S764 PolarHBondContact O-N 2.82Å; V760-S764 PolarHBondContact O-OG 3.12Å
761L83.3Confident83.6Confident52 Ų5281.8 Ų81.827%0.27242%0.418SS..Hα-helixtrans-66.6-36.4176.7-176.563.2000112.6L723 L733 N757 L758 E759 S764 K765L723-L761 HydrophobicContact CD1-CD2 4.42Å; L723-L761 HydrophobicContact CD2-CD2 3.68Å; L733-L761 HydrophobicContact CD2-CB 4.28Å; L733-L761 HydrophobicContact CD2-CD2 4.14Å; N757-L761 WeakPolarHBondContact O-CB 3.34Å; N757-L761 PolarHBondContact O-N 3.03Å; L758-L761 WeakPolarHBondContact O-CB 3.21Å; L758-L761 PolarHBondContact O-N 3.29Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 3.3Å; L761-S764 WeakPolarHBondContact CA-OG 3.29Å; L761-S764 PolarHBondContact O-OG 2.82Å; L761-K765 WeakPolarHBondContact O-CG 3.33Å; L761-K765 PolarHBondContact O-N 2.57Å
762R84.6Confident83.1Confident134 Ų13485.1 Ų85.151%0.50643%0.431SS..Hα-helixtrans-61.8-57.1170.6-76.8170.6171.5167.2-4.4110.6L758 E759 S764 K765 M766L758-R762 HydrophobicContact CD2-CG 4.28Å; L758-R762 VanDerWaalsContact CD2-CZ 3.49Å; L758-R762 WeakPolarHBondContact O-CG 3.49Å; L758-R762 PolarHBondContact O-N 3.18Å; E759-R762 WeakPolarHBondContact O-CB 3.23Å; E759-R762 PolarHBondContact O-N 3.2Å; E759-R762 WeakPolarHBondContact OE1-CD 3.01Å; E759-R762 VanDerWaalsContact OE2-CD 3.29Å; E759-R762 WeakPolarHBondContact OE2-CD 3.4Å; E759-R762 IonicContact OE2-CZ 3.94Å; E759-R762 IonicContact OE2-NE 2.67Å; E759-R762 IonicContact OE2-NH1 3.67Å; E759-R762 PolarHBondContact OE2-NH1 2.99Å; R762-S764 PolarHBondContact O-N 2.77Å; R762-S764 VanDerWaalsContact O-N 3.16Å; R762-K765 WeakPolarHBondContact O-CA 3.32Å; R762-K765 WeakPolarHBondContact O-CB 3.49Å; R762-K765 PolarHBondContact O-N 3.44Å; R762-M766 WeakPolarHBondContact O-CG 3.02Å; R762-M766 PolarHBondContact O-N 3.33Å; R762-M766 VanDerWaalsContact O-N 3.12Å
763R82.4Confident82.8Confident75 Ų7585 Ų8528%0.28343%0.427SS..Hα-helixtrans-55.2-34.8178.4-72.9-169.160.2173.7-5.4112.9E759 V760 K765 L771 E775E759-R763 WeakPolarHBondContact O-CB 3.42Å; E759-R763 WeakPolarHBondContact O-CG 3.44Å; E759-R763 PolarHBondContact O-N 3.41Å; V760-R763 PolarHBondContact O-N 2.81Å; R763-K765 VanDerWaalsContact C-N 3.26Å; R763-K765 PolarHBondContact O-N 3.11Å; R763-L771 HydrophobicContact CB-CD1 4.21Å; R763-E775 IonicContact CZ-OE1 3.3Å; R763-E775 IonicContact NH1-OE1 2.75Å; R763-E775 IonicContact NH2-OE1 3.37Å; R763-E775 PolarHBondContact NH2-OE1 2.99Å
764S77.6Confident82.2Confident88 Ų8885.5 Ų85.562%0.61543%0.429SS*.THydrogen-bonded Turntrans-76.3-3.8174.667.90000115.7V760 L761 R762V760-S764 WeakPolarHBondContact O-CB 3.25Å; V760-S764 PolarHBondContact O-N 2.82Å; V760-S764 PolarHBondContact O-OG 3.12Å; L761-S764 WeakPolarHBondContact CA-OG 3.29Å; L761-S764 PolarHBondContact O-OG 2.82Å; R762-S764 PolarHBondContact O-N 2.77Å; R762-S764 VanDerWaalsContact O-N 3.16Å
765K80.2Confident81.8Confident141 Ų14189.4 Ų89.461%0.61345%0.448SS*.THydrogen-bonded Turntrans-110.4-19.3176-74.1176.8176.3-1740113.4L761 R762 R763L761-K765 WeakPolarHBondContact O-CG 3.33Å; L761-K765 PolarHBondContact O-N 2.57Å; R762-K765 WeakPolarHBondContact O-CA 3.32Å; R762-K765 WeakPolarHBondContact O-CB 3.49Å; R762-K765 PolarHBondContact O-N 3.44Å; R763-K765 VanDerWaalsContact C-N 3.26Å; R763-K765 PolarHBondContact O-N 3.11Å
766M73.6Confident81.4Confident72 Ų7291.6 Ų91.636%0.35545%0.453SS..SBendtrans-67.6157.9172.9-45.3-47-68.900110R762 E770R762-M766 WeakPolarHBondContact O-CG 3.02Å; R762-M766 PolarHBondContact O-N 3.33Å; R762-M766 VanDerWaalsContact O-N 3.12Å; M766-E770 HydrophobicContact CB-CB 4.48Å; M766-E770 HydrophobicContact CB-CG 4.31Å; M766-E770 HydrophobicContact CE-CG 4.14Å; M766-E770 WeakPolarHBondContact CE-OE1 3.42Å
767S82.1Confident81Confident65 Ų6589.1 Ų89.146%0.45544%0.442SS..  trans-71.5157.4173.767.50000111.8A769 E770 L771S767-A769 VanDerWaalsContact C-N 3.32Å; S767-A769 PolarHBondContact O-N 3.15Å; S767-E770 PolarHBondContact N-OE2 3.37Å; S767-E770 PolarHBondContact O-N 3.04Å; S767-E770 VanDerWaalsContact O-N 3.15Å; S767-E770 WeakPolarHBondContact OG-CB 3.29Å; S767-E770 PolarHBondContact OG-N 3.24Å; S767-E770 PolarHBondContact OG-OE2 2.92Å; S767-L771 PolarHBondContact O-N 3.15Å
768E71.5Confident80.4Confident180 Ų18091 Ų9184%0.84145%0.45SS*.Hα-helixtrans-60.1-40.4-177.7-172168.4-16400112.4L771 E772E768-L771 PolarHBondContact O-N 3.48Å; E768-E772 PolarHBondContact O-N 2.86Å
769A73.8Confident79.7Confident76 Ų7693.7 Ų93.763%0.62847%0.467SS*.Hα-helixtrans-65.2-38.1175.500000113S767 E772 E773S767-A769 VanDerWaalsContact C-N 3.32Å; S767-A769 PolarHBondContact O-N 3.15Å; A769-E772 PolarHBondContact O-N 3.36Å; A769-E773 PolarHBondContact O-N 3Å
770E80.5Confident79.1Confident82 Ų8296 Ų9638%0.38348%0.478SS..Hα-helixtrans-72.7-31.5178.4-174.7176-156.100111.9M766 S767 E773 L774M766-E770 HydrophobicContact CB-CB 4.48Å; M766-E770 HydrophobicContact CB-CG 4.31Å; M766-E770 HydrophobicContact CE-CG 4.14Å; M766-E770 WeakPolarHBondContact CE-OE1 3.42Å; S767-E770 PolarHBondContact N-OE2 3.37Å; S767-E770 PolarHBondContact O-N 3.04Å; S767-E770 VanDerWaalsContact O-N 3.15Å; S767-E770 WeakPolarHBondContact OG-CB 3.29Å; S767-E770 PolarHBondContact OG-N 3.24Å; S767-E770 PolarHBondContact OG-OE2 2.92Å; E770-E773 PolarHBondContact O-N 3.13Å; E770-L774 WeakPolarHBondContact O-CG 3.36Å; E770-L774 PolarHBondContact O-N 2.86Å
771L79.6Confident77.9Confident49 Ų4998.8 Ų98.826%0.25748%0.484SS..Hα-helixtrans-68.9-39.4170.6-172.4143.8000111.6R763 S767 E768 L774 E775R763-L771 HydrophobicContact CB-CD1 4.21Å; S767-L771 PolarHBondContact O-N 3.15Å; E768-L771 PolarHBondContact O-N 3.48Å; L771-L774 PolarHBondContact O-N 3.28Å; L771-E775 HydrophobicContact CD2-CG 4.48Å; L771-E775 PolarHBondContact O-N 3.17Å
772E81.1Confident76.9Confident99 Ų99103.4 Ų103.446%0.46351%0.505SS..Hα-helixtrans-63.6-41.2172.2-158.6-157.5133.600111.4E768 A769 L774 E775 R776E768-E772 PolarHBondContact O-N 2.86Å; A769-E772 PolarHBondContact O-N 3.36Å; E772-L774 VanDerWaalsContact C-N 3.34Å; E772-L774 PolarHBondContact O-N 3.04Å; E772-E775 PolarHBondContact O-N 2.99Å; E772-R776 WeakPolarHBondContact O-CG 3.2Å; E772-R776 PolarHBondContact O-N 3.39Å; E772-R776 IonicContact OE1-CZ 3.14Å; E772-R776 IonicContact OE1-NE 2.69Å; E772-R776 PolarHBondContact OE1-NE 2.99Å; E772-R776 IonicContact OE1-NH2 3.74Å; E772-R776 PolarHBondContact OE1-NH2 3.46Å
773E82.9Confident76.2Confident99 Ų99104.8 Ų104.846%0.46351%0.514SS..Hα-helixtrans-66.3-35.3177.9-148.4-157.8161.100112.4A769 E770 R776 K777A769-E773 PolarHBondContact O-N 3Å; E770-E773 PolarHBondContact O-N 3.13Å; E773-R776 PolarHBondContact O-N 2.81Å; E773-K777 WeakPolarHBondContact O-CB 3.39Å; E773-K777 WeakPolarHBondContact O-CD 3.37Å; E773-K777 VanDerWaalsContact O-CG 3.26Å; E773-K777 WeakPolarHBondContact O-CG 3.49Å; E773-K777 PolarHBondContact O-N 3.29Å; E773-K777 WeakPolarHBondContact OE1-CE 3.45Å; E773-K777 IonicContact OE1-NZ 3.74Å; E773-K777 PolarHBondContact OE1-NZ 2.98Å; E773-K777 IonicContact OE2-NZ 2.9Å; E773-K777 PolarHBondContact OE2-NZ 3.38Å
774L76.3Confident75.5Confident71 Ų71110.1 Ų110.137%0.37254%0.536SS..Hα-helixtrans-66.5-40.3171.1-75.4172000112.1E770 L771 E772 K777 E778E770-L774 WeakPolarHBondContact O-CG 3.36Å; E770-L774 PolarHBondContact O-N 2.86Å; L771-L774 PolarHBondContact O-N 3.28Å; E772-L774 VanDerWaalsContact C-N 3.34Å; E772-L774 PolarHBondContact O-N 3.04Å; L774-K777 PolarHBondContact O-N 3.09Å; L774-E778 PolarHBondContact O-N 2.97Å
775E80.9Confident75Confident90 Ų90114.5 Ų114.542%0.42154%0.539SS..Hα-helixtrans-69.6-31.8176-70.5-166161.200112.6R763 L771 E772 T779R763-E775 IonicContact CZ-OE1 3.3Å; R763-E775 IonicContact NH1-OE1 2.75Å; R763-E775 IonicContact NH2-OE1 3.37Å; R763-E775 PolarHBondContact NH2-OE1 2.99Å; L771-E775 HydrophobicContact CD2-CG 4.48Å; L771-E775 PolarHBondContact O-N 3.17Å; E772-E775 PolarHBondContact O-N 2.99Å; E775-T779 WeakPolarHBondContact O-CB 3.38Å; E775-T779 WeakPolarHBondContact O-CG2 3.34Å; E775-T779 PolarHBondContact O-N 3.08Å; E775-T779 PolarHBondContact O-OG1 2.75Å
776R80.6Confident74.6Confident145 Ų145110 Ų11055%0.54752%0.522SS..Hα-helixtrans-61.9-49.9166.8-71.6174.2-178.6-123.46.6111E772 E773 E778 T779 E780E772-R776 WeakPolarHBondContact O-CG 3.2Å; E772-R776 PolarHBondContact O-N 3.39Å; E772-R776 IonicContact OE1-CZ 3.14Å; E772-R776 IonicContact OE1-NE 2.69Å; E772-R776 PolarHBondContact OE1-NE 2.99Å; E772-R776 IonicContact OE1-NH2 3.74Å; E772-R776 PolarHBondContact OE1-NH2 3.46Å; E773-R776 PolarHBondContact O-N 2.81Å; R776-E778 PolarHBondContact O-N 3.27Å; R776-T779 PolarHBondContact O-N 3.34Å; R776-T779 PolarHBondContact O-OG1 2.69Å; R776-T779 VanDerWaalsContact O-OG1 3.06Å; R776-E780 WeakPolarHBondContact O-CB 3.42Å; R776-E780 VanDerWaalsContact O-CG 3.3Å; R776-E780 WeakPolarHBondContact O-CG 3.27Å; R776-E780 PolarHBondContact O-N 2.97Å
777K80.3Confident74.8Confident82 Ų82115.1 Ų115.136%0.35754%0.537SS..Hα-helixtrans-63.1-36.5178-71.2162.7-173.4166.90113E773 L774 Q781E773-K777 WeakPolarHBondContact O-CB 3.39Å; E773-K777 WeakPolarHBondContact O-CD 3.37Å; E773-K777 VanDerWaalsContact O-CG 3.26Å; E773-K777 WeakPolarHBondContact O-CG 3.49Å; E773-K777 PolarHBondContact O-N 3.29Å; E773-K777 WeakPolarHBondContact OE1-CE 3.45Å; E773-K777 IonicContact OE1-NZ 3.74Å; E773-K777 PolarHBondContact OE1-NZ 2.98Å; E773-K777 IonicContact OE2-NZ 2.9Å; E773-K777 PolarHBondContact OE2-NZ 3.38Å; L774-K777 PolarHBondContact O-N 3.09Å; K777-Q781 WeakPolarHBondContact O-CB 3.45Å; K777-Q781 VanDerWaalsContact O-CG 3.23Å; K777-Q781 WeakPolarHBondContact O-CG 3.44Å; K777-Q781 PolarHBondContact O-N 2.76Å; K777-Q781 VanDerWaalsContact O-N 3.08Å; K777-Q781 PolarHBondContact O-NE2 3.16Å; K777-Q781 VanDerWaalsContact O-NE2 3.17Å
778E78.1Confident74Confident96 Ų96113.5 Ų113.545%0.44953%0.527SS..Hα-helixtrans-69.2-43.6173.5-78.6-165.3170.200112L774 R776 Q781 Q782L774-E778 PolarHBondContact O-N 2.97Å; R776-E778 PolarHBondContact O-N 3.27Å; E778-Q781 PolarHBondContact O-N 3.17Å; E778-Q782 WeakPolarHBondContact O-CB 3.32Å; E778-Q782 VanDerWaalsContact O-CG 3.25Å; E778-Q782 WeakPolarHBondContact O-CG 3.48Å; E778-Q782 PolarHBondContact O-N 2.96Å
779T71.7Confident74.3Confident89 Ų89106.5 Ų106.555%0.54650%0.5SS..Hα-helixtrans-70.4-31.3179.150.70000112.7E775 R776 K783E775-T779 WeakPolarHBondContact O-CB 3.38Å; E775-T779 WeakPolarHBondContact O-CG2 3.34Å; E775-T779 PolarHBondContact O-N 3.08Å; E775-T779 PolarHBondContact O-OG1 2.75Å; R776-T779 PolarHBondContact O-N 3.34Å; R776-T779 PolarHBondContact O-OG1 2.69Å; R776-T779 VanDerWaalsContact O-OG1 3.06Å; T779-K783 PolarHBondContact O-N 3.37Å; T779-K783 VanDerWaalsContact O-N 3.12Å
780E72.9Confident74.7Confident132 Ų132105.9 Ų105.962%0.61749%0.485SS*.Hα-helixtrans-66.1-41.9168.9-74.5172.1179.400112.1R776 K783R776-E780 WeakPolarHBondContact O-CB 3.42Å; R776-E780 VanDerWaalsContact O-CG 3.3Å; R776-E780 WeakPolarHBondContact O-CG 3.27Å; R776-E780 PolarHBondContact O-N 2.97Å; E780-K783 WeakPolarHBondContact O-CB 3.47Å; E780-K783 PolarHBondContact O-N 3.24Å
781Q61.9Low74.5Confident157 Ų157109.6 Ų109.673%0.73450%0.495SS*.Hα-helixtrans-71.6-27.9175.8-74.8173.661.500113.8K777 E778 K783K777-Q781 WeakPolarHBondContact O-CB 3.45Å; K777-Q781 VanDerWaalsContact O-CG 3.23Å; K777-Q781 WeakPolarHBondContact O-CG 3.44Å; K777-Q781 PolarHBondContact O-N 2.76Å; K777-Q781 VanDerWaalsContact O-N 3.08Å; K777-Q781 PolarHBondContact O-NE2 3.16Å; K777-Q781 VanDerWaalsContact O-NE2 3.17Å; E778-Q781 PolarHBondContact O-N 3.17Å; Q781-K783 VanDerWaalsContact C-N 3.33Å
782Q61.3Low74.5Confident149 Ų149113.5 Ų113.570%0.69651%0.506SS*.Hα-helixtrans-80.4-13.2173.6-71.3175.543.700112.9E778E778-Q782 WeakPolarHBondContact O-CB 3.32Å; E778-Q782 VanDerWaalsContact O-CG 3.25Å; E778-Q782 WeakPolarHBondContact O-CG 3.48Å; E778-Q782 PolarHBondContact O-N 2.96Å
783K69.9Low74.1Confident163 Ų163116.5 Ų116.571%0.70952%0.52SS*.SBendtrans-65.6146171.5-152.2171-175.4177.20109.7T779 E780 Q781 R785T779-K783 PolarHBondContact O-N 3.37Å; T779-K783 VanDerWaalsContact O-N 3.12Å; E780-K783 WeakPolarHBondContact O-CB 3.47Å; E780-K783 PolarHBondContact O-N 3.24Å; Q781-K783 VanDerWaalsContact C-N 3.33Å; K783-R785 PolarHBondContact O-N 3.27Å
784Y67.7Low73.7Confident188 Ų188119 Ų11974%0.73753%0.53SS*.  trans-60.6106-175.1172.7-97.2000111.9D786Y784-D786 HydrophobicContact CD1-CB 4.12Å; Y784-D786 HydrophobicContact CE1-CB 3.56Å; Y784-D786 PolarHBondContact O-N 3.05Å; Y784-D786 PolarHBondContact OH-OD1 3.27Å
785R68.8Low73.5Confident179 Ų179123.6 Ų123.668%0.67554%0.543SS*.  trans-74100.9173.8-174.5173.8-176.2139.410.7109.7K783 R787 E790K783-R785 PolarHBondContact O-N 3.27Å; R785-R787 PolarHBondContact O-N 2.9Å; R785-E790 IonicContact CZ-OE1 2.66Å; R785-E790 IonicContact NE-OE1 3.52Å; R785-E790 PolarHBondContact NE-OE1 3.1Å; R785-E790 IonicContact NE-OE2 2.71Å; R785-E790 PolarHBondContact NE-OE2 2.88Å; R785-E790 IonicContact NH2-OE1 3.05Å; R785-E790 PolarHBondContact NH2-OE1 2.86Å
786D71.4Confident73.1Confident47 Ų47121.1 Ų121.125%0.25154%0.542SS..  trans-72.588.1-177-172.121.3000112.5Y784 A788 A789 E790 R792Y784-D786 HydrophobicContact CD1-CB 4.12Å; Y784-D786 HydrophobicContact CE1-CB 3.56Å; Y784-D786 PolarHBondContact O-N 3.05Å; Y784-D786 PolarHBondContact OH-OD1 3.27Å; D786-A788 PolarHBondContact O-N 2.77Å; D786-A788 VanDerWaalsContact OD1-CB 3.26Å; D786-A788 WeakPolarHBondContact OD1-CB 3.1Å; D786-A788 PolarHBondContact OD1-N 2.96Å; D786-A789 HydrophobicContact CB-CB 3.93Å; D786-A789 WeakPolarHBondContact O-CB 3.34Å; D786-A789 PolarHBondContact O-N 3.06Å; D786-A789 WeakPolarHBondContact OD2-CB 3.19Å; D786-A789 PolarHBondContact OD2-N 3.1Å; D786-E790 PolarHBondContact O-N 3.04Å; D786-R792 IonicContact OD2-NH1 2.75Å; D786-R792 PolarHBondContact OD2-NH1 3.12Å
787R78.5Confident72.5Confident179 Ų179120.5 Ų120.568%0.67555%0.548SS*.THydrogen-bonded Turntrans-60.5-5.9171.2-59.8-177.8-169.7159.13.1113.6R785 R791R785-R787 PolarHBondContact O-N 2.9Å; R787-R791 PolarHBondContact O-NE 3.43Å; R787-R791 PolarHBondContact O-NH2 3.32Å; R787-R791 VanDerWaalsContact O-NH2 3.16Å
788A64.6Low71.9Confident31 Ų31121.9 Ų121.926%0.25657%0.566SS.*THydrogen-bonded Turntrans-84.6-44.6166.500000111.3D786 R791 R792D786-A788 PolarHBondContact O-N 2.77Å; D786-A788 VanDerWaalsContact OD1-CB 3.26Å; D786-A788 WeakPolarHBondContact OD1-CB 3.1Å; D786-A788 PolarHBondContact OD1-N 2.96Å; A788-R791 PolarHBondContact O-N 2.97Å; A788-R792 WeakPolarHBondContact O-CG 3.25Å; A788-R792 PolarHBondContact O-N 3.43Å
789A76.9Confident70.8Confident33 Ų33125.4 Ų125.427%0.27358%0.582SS.*Hα-helixtrans-58.6-49.9171.300000112.2D786 R791 R792 E793D786-A789 HydrophobicContact CB-CB 3.93Å; D786-A789 WeakPolarHBondContact O-CB 3.34Å; D786-A789 PolarHBondContact O-N 3.06Å; D786-A789 WeakPolarHBondContact OD2-CB 3.19Å; D786-A789 PolarHBondContact OD2-N 3.1Å; A789-R791 PolarHBondContact O-N 3.37Å; A789-R792 CarbonylContact O-C 3.53Å; A789-R792 WeakPolarHBondContact O-CA 3.07Å; A789-R792 WeakPolarHBondContact O-CB 3.28Å; A789-R792 PolarHBondContact O-N 2.87Å; A789-E793 PolarHBondContact O-N 3.37Å
790E82.2Confident70.5Confident64 Ų64126 Ų12630%0.29959%0.588SS.*Hα-helixtrans-57.6-29.2178.5-63.2-178.5113.900112.8R785 D786 K794R785-E790 IonicContact CZ-OE1 2.66Å; R785-E790 IonicContact NE-OE1 3.52Å; R785-E790 PolarHBondContact NE-OE1 3.1Å; R785-E790 IonicContact NE-OE2 2.71Å; R785-E790 PolarHBondContact NE-OE2 2.88Å; R785-E790 IonicContact NH2-OE1 3.05Å; R785-E790 PolarHBondContact NH2-OE1 2.86Å; D786-E790 PolarHBondContact O-N 3.04Å; E790-K794 VanDerWaalsContact O-CB 3.25Å; E790-K794 WeakPolarHBondContact O-CB 3.26Å; E790-K794 PolarHBondContact O-N 3.5Å
791R76Confident70Confident160 Ų160125.5 Ų125.560%0.60460%0.595SS**Hα-helixtrans-79.5-33.2173.7-84.1-178.3-72.5167.60.3113.1R787 A788 A789 E793 Y795R787-R791 PolarHBondContact O-NE 3.43Å; R787-R791 PolarHBondContact O-NH2 3.32Å; R787-R791 VanDerWaalsContact O-NH2 3.16Å; A788-R791 PolarHBondContact O-N 2.97Å; A789-R791 PolarHBondContact O-N 3.37Å; R791-E793 VanDerWaalsContact C-N 3.33Å; R791-Y795 HydrophobicContact CG-CD2 4.43Å; R791-Y795 WeakPolarHBondContact O-CB 3.36Å; R791-Y795 PolarHBondContact O-N 2.86Å
792R80.7Confident70.1Confident130 Ų130123.7 Ų123.749%0.49160%0.595SS.*Hα-helixtrans-67.4-33.3171.5-66170.7-165.2119.2-1.8111.8D786 A788 A789 G796 I797D786-R792 IonicContact OD2-NH1 2.75Å; D786-R792 PolarHBondContact OD2-NH1 3.12Å; A788-R792 WeakPolarHBondContact O-CG 3.25Å; A788-R792 PolarHBondContact O-N 3.43Å; A789-R792 CarbonylContact O-C 3.53Å; A789-R792 WeakPolarHBondContact O-CA 3.07Å; A789-R792 WeakPolarHBondContact O-CB 3.28Å; A789-R792 PolarHBondContact O-N 2.87Å; R792-G796 CarbonylContact O-C 3.53Å; R792-G796 WeakPolarHBondContact O-CA 3.47Å; R792-G796 PolarHBondContact O-N 3.39Å; R792-G796 VanDerWaalsContact O-N 3.1Å; R792-I797 HydrophobicContact CB-CG1 4.01Å; R792-I797 HydrophobicContact CG-CG1 4.15Å
793E72.7Confident69.7Low162 Ų162122 Ų12276%0.75760%0.597SS**Hα-helixtrans-74.1-53.2174.4-68.3177.1140.300110.9A789 R791 Y795A789-E793 PolarHBondContact O-N 3.37Å; R791-E793 VanDerWaalsContact C-N 3.33Å; E793-Y795 PolarHBondContact O-N 3.17Å
794K74.4Confident68.7Low153 Ų153123.5 Ų123.567%0.66560%0.603SS**Hα-helixtrans-67.6-31.3-174.7-172.5179.4176.6-154.90114.4E790E790-K794 VanDerWaalsContact O-CB 3.25Å; E790-K794 WeakPolarHBondContact O-CB 3.26Å; E790-K794 PolarHBondContact O-N 3.5Å
795Y71.6Confident68Low167 Ų167124.3 Ų124.366%0.65561%0.611SS**SBendtrans-117.57-176.3-61.8-81000113.5R791 E793R791-Y795 HydrophobicContact CG-CD2 4.43Å; R791-Y795 WeakPolarHBondContact O-CB 3.36Å; R791-Y795 PolarHBondContact O-N 2.86Å; E793-Y795 PolarHBondContact O-N 3.17Å
796G73.5Confident66.8Low38 Ų38125.5 Ų125.539%0.39262%0.621SS.*  trans70.7169-171.200000113.4R792R792-G796 CarbonylContact O-C 3.53Å; R792-G796 WeakPolarHBondContact O-CA 3.47Å; R792-G796 PolarHBondContact O-N 3.39Å; R792-G796 VanDerWaalsContact O-N 3.1Å
797I67.3Low65.5Low132 Ų132132.6 Ų132.668%0.67765%0.65SS**PPolyproline II helixtrans-87120.1157.5-60.1175000105.6R792 E799R792-I797 HydrophobicContact CB-CG1 4.01Å; R792-I797 HydrophobicContact CG-CG1 4.15Å; I797-E799 PolarHBondContact O-N 3.37Å
798P66.9Low63.9Low111 Ų111132.8 Ų132.872%0.72166%0.655SS**PPolyproline II helixtrans-61136.6175.626-33.7000109.5
799E56.8Low62.9Low170 Ų170138.2 Ų138.279%0.79468%0.68SS**PPolyproline II helixtrans-52.2128.6-174-168.5-176.4166.600110.7I797I797-E799 PolarHBondContact O-N 3.37Å
800P64.8Low61.7Low102 Ų102145 Ų14566%0.66271%0.706SS**PPolyproline II helixtrans-61126-174.223.6-33.7000109.9V802P800-V802 PolarHBondContact O-N 2.86Å; P800-V802 VanDerWaalsContact O-N 3.13Å
801P62.3Low60Low120 Ų120146.4 Ų146.478%0.77972%0.721SS**PPolyproline II helixtrans-60.1122.6-169.922.4-33.6000110.7
802V63.8Low58.6Low119 Ų119142.7 Ų142.772%0.72173%0.725SS**  trans-38.4123.8-173-173.50000110.7P800 K804P800-V802 PolarHBondContact O-N 2.86Å; P800-V802 VanDerWaalsContact O-N 3.13Å; V802-K804 PolarHBondContact O-N 2.83Å
803P52Low57Low114 Ų114142.5 Ų142.574%0.7474%0.74SS**  trans-57.3110.5-16519.4-32.7000111.1K805P803-K805 PolarHBondContact O-N 3.4Å
804K50.2Low55.7Low194 Ų194140.2 Ų140.284%0.84374%0.737SS**  trans-55.9104.6-178.9-69.3-175.6179.2-1790109V802 K806V802-K804 PolarHBondContact O-N 2.83Å; K804-K806 PolarHBondContact O-N 3.38Å
805K53.5Low54.4Low206 Ų206137.6 Ų137.690%0.89673%0.734SS**  trans-52.9103.7173.6-69.6-179179.9176.90107.7P803 K807P803-K805 PolarHBondContact O-N 3.4Å; K805-K807 PolarHBondContact O-N 3.2Å; K805-K807 VanDerWaalsContact O-N 3.1Å
806K42.3Very low53.4Low203 Ų203136.4 Ų136.488%0.88374%0.739SS**  trans-58.8119.1177.9-74.9-175.6176.8179.90107.3K804 F808K804-K806 PolarHBondContact O-N 3.38Å; K806-F808 PolarHBondContact O-N 2.91Å; K806-F808 VanDerWaalsContact O-N 3.1Å
807K44.8Very low51.9Low197 Ų197143 Ų14386%0.85775%0.753SS**  trans-56.5120168.9-70-171.7175.9-176.80106.9K805 N809K805-K807 PolarHBondContact O-N 3.2Å; K805-K807 VanDerWaalsContact O-N 3.1Å; K807-N809 PolarHBondContact O-N 3.16Å
808F45Very low51.3Low182 Ų182144.6 Ų144.680%0.79876%0.758SS**  trans-73.795.5176.1-165.3-85.1000106.9K806 Q810K806-F808 PolarHBondContact O-N 2.91Å; K806-F808 VanDerWaalsContact O-N 3.1Å; F808-Q810 PolarHBondContact O-N 2.91Å
809N43.7Very low50.4Low145 Ų145145.1 Ų145.178%0.77575%0.75SS**PPolyproline II helixtrans-57.7124.6164.1-89.34.4000106.6K807K807-N809 PolarHBondContact O-N 3.16Å
810Q51.6Low50Low175 Ų175141.9 Ų141.982%0.81874%0.744SS**PPolyproline II helixtrans-57.4132.2169.3-65.2-1793.100107.7F808F808-Q810 PolarHBondContact O-N 2.91Å
811P46.7Very low49.2Very low94 Ų94142.2 Ų142.261%0.6174%0.744SS**PPolyproline II helixtrans-60145.3164.527.7-33000108.4
812A46.3Very low48.7Very low83 Ų83144.8 Ų144.869%0.68674%0.743SS**PPolyproline II helixtrans-52.8150.1168.600000109.9V814A812-V814 PolarHBondContact O-N 2.98Å
813P46.2Very low48.2Very low125 Ų125145.3 Ų145.381%0.81274%0.742SS**PPolyproline II helixtrans-52.1117.9-175.220.4-33.3000110.5V815P813-V815 PolarHBondContact O-N 3.38Å; P813-V815 VanDerWaalsContact O-N 3.15Å
814V46Very low48.5Very low114 Ų114142.2 Ų142.269%0.69173%0.73SS**PPolyproline II helixtrans-64.2117.1178.8176.10000107.1A812 N816 Y817A812-V814 PolarHBondContact O-N 2.98Å; V814-N816 PolarHBondContact O-N 3.33Å; V814-N816 VanDerWaalsContact O-N 3.11Å; V814-Y817 HydrophobicContact CG1-CE2 4.45Å
815V48Very low49.1Very low98 Ų98136.3 Ų136.359%0.59471%0.708SS**PPolyproline II helixtrans-52.7120.7167.1175.90000106.6P813 Y817P813-V815 PolarHBondContact O-N 3.38Å; P813-V815 VanDerWaalsContact O-N 3.15Å; V815-Y817 VanDerWaalsContact C-N 3.31Å; V815-Y817 HydrophobicContact CB-CE1 4.18Å; V815-Y817 HydrophobicContact CG1-CD1 4.43Å; V815-Y817 HydrophobicContact CG1-CE1 4.07Å; V815-Y817 WeakPolarHBondContact O-CD2 3.38Å; V815-Y817 WeakPolarHBondContact O-CE2 3.42Å; V815-Y817 PolarHBondContact O-N 2.86Å
816N49.3Very low49.5Very low142 Ų142130.6 Ų130.676%0.75969%0.691SS**  trans-70.990.5-174.2-172.822.2000109.6V814 E818V814-N816 PolarHBondContact O-N 3.33Å; V814-N816 VanDerWaalsContact O-N 3.11Å; N816-E818 PolarHBondContact O-N 3.44Å
817Y42.7Very low50.6Low178 Ų178124.6 Ų124.670%0.69867%0.674SS**  trans-7084168.2-47-70.8000107.9V814 V815 Q819V814-Y817 HydrophobicContact CG1-CE2 4.45Å; V815-Y817 VanDerWaalsContact C-N 3.31Å; V815-Y817 HydrophobicContact CB-CE1 4.18Å; V815-Y817 HydrophobicContact CG1-CD1 4.43Å; V815-Y817 HydrophobicContact CG1-CE1 4.07Å; V815-Y817 WeakPolarHBondContact O-CD2 3.38Å; V815-Y817 WeakPolarHBondContact O-CE2 3.42Å; V815-Y817 PolarHBondContact O-N 2.86Å; Y817-Q819 PolarHBondContact O-N 3.26Å; Y817-Q819 VanDerWaalsContact O-N 3.14Å
818E54.6Low51.8Low165 Ų165120.9 Ų120.977%0.77166%0.663SS**  trans-45.1117.9169.1-176.7168.3-117.400108.9N816 P820N816-E818 PolarHBondContact O-N 3.44Å; E818-P820 WeakPolarHBondContact O-CD 3.41Å; E818-P820 WeakPolarHBondContact O-CG 3.5Å
819Q48.2Very low53.1Low122 Ų122116.3 Ų116.357%0.5765%0.647SS**  trans-76.1104.6-174-69.7-178.2-27.600108.9Y817 T821 K822Y817-Q819 PolarHBondContact O-N 3.26Å; Y817-Q819 VanDerWaalsContact O-N 3.14Å; Q819-T821 PolarHBondContact O-N 2.94Å; Q819-K822 PolarHBondContact O-N 3.36Å
820P47.1Very low54.6Low102 Ų102116.2 Ų116.266%0.66265%0.645SS**THydrogen-bonded Turntrans-7824.7-167.6-12.731.9000113.8E818E818-P820 WeakPolarHBondContact O-CD 3.41Å; E818-P820 WeakPolarHBondContact O-CG 3.5Å
821T49.8Very low55.8Low109 Ų109109.1 Ų109.167%0.66962%0.62SS**THydrogen-bonded Turntrans-147.915.1-171.962.70000112.6Q819 D823Q819-T821 PolarHBondContact O-N 2.94Å; T821-D823 CarbonylContact C-O 3.5Å; T821-D823 VanDerWaalsContact CA-O 3.24Å; T821-D823 WeakPolarHBondContact CA-O 3.45Å
822K50.1Low57.2Low173 Ų173105.5 Ų105.575%0.75260%0.595SS**SBendtrans-82.7-47.3163.9-100.5-167.3173.6-172.50110.1Q819Q819-K822 PolarHBondContact O-N 3.36Å
823D53.9Low58.8Low131 Ų131107.1 Ų107.170%0.70159%0.587SS**SBendtrans-76.8149.8156-50.9-67.6000108.6T821T821-D823 CarbonylContact C-O 3.5Å; T821-D823 VanDerWaalsContact CA-O 3.24Å; T821-D823 WeakPolarHBondContact CA-O 3.45Å
824G58.8Low60.3Low48 Ų48106.9 Ų106.950%0.49558%0.576SS.*  trans-63.1168.4-176.300000113.4T826G824-T826 PolarHBondContact O-N 3.46Å
825L61.9Low61.9Low70 Ų70104.2 Ų104.237%0.36656%0.557SS.*  trans-55.5103.7177.5-91.977.2000110.3N832 L835 W840L825-N832 HydrophobicContact CB-CB 4.47Å; L825-N832 HydrophobicContact CD2-CB 4.35Å; L825-N832 PolarHBondContact O-ND2 3.36Å; L825-L835 HydrophobicContact CD2-CD1 3.63Å; L825-W840 HydrophobicContact CB-CH2 4.43Å; L825-W840 HydrophobicContact CB-CZ3 4.48Å; L825-W840 HydrophobicContact CD2-CZ3 4.4Å
826T63.4Low63.4Low87 Ų87105.8 Ų105.853%0.53456%0.558SS.*  trans-66148.3179.956.30000110.9G824 D828 N832G824-T826 PolarHBondContact O-N 3.46Å; T826-D828 PolarHBondContact O-N 3.25Å; T826-N832 VanDerWaalsContact C-ND2 3.32Å; T826-N832 WeakPolarHBondContact O-CB 3.24Å; T826-N832 PolarHBondContact O-ND2 2.91Å
827S65.3Low64.8Low76 Ų76103.1 Ų103.153%0.53156%0.556SS.*THydrogen-bonded Turntrans-57.7-22.3-174.347.30000114.5K833S827-K833 WeakPolarHBondContact O-CE 3.37Å
828D68.9Low66.1Low119 Ų119101.5 Ų101.564%0.63656%0.557SS**THydrogen-bonded Turntrans-96.3-18.4-161.5-53.7-23.4000112.2T826T826-D828 PolarHBondContact O-N 3.25Å
829N73.2Confident66.9Low87 Ų8796.4 Ų96.447%0.46555%0.548SS..SBendtrans-65.8131.7175.3-170.6-30.9000110.8G831 N832 K833N829-G831 PolarHBondContact O-N 2.88Å; N829-G831 PolarHBondContact OD1-N 3.29Å; N829-N832 WeakPolarHBondContact O-CB 3.46Å; N829-N832 PolarHBondContact O-N 2.96Å; N829-K833 PolarHBondContact O-N 2.87Å
830I74.9Confident68.3Low142 Ų14293.2 Ų93.273%0.72853%0.531SS*.Hα-helixtrans-53.3-37.1177-60.1172.4000111.1N832 K833 M834I830-N832 PolarHBondContact O-N 2.92Å; I830-K833 PolarHBondContact O-N 3.44Å; I830-M834 WeakPolarHBondContact O-CB 3.43Å; I830-M834 PolarHBondContact O-N 3.12Å
831G76.1Confident69.6Low27 Ų2795.3 Ų95.328%0.27853%0.529SS..Hα-helixtrans-62.7-37.217600000113.5N829 M834 L835N829-G831 PolarHBondContact O-N 2.88Å; N829-G831 PolarHBondContact OD1-N 3.29Å; G831-M834 PolarHBondContact O-N 3.43Å; G831-L835 WeakPolarHBondContact O-CB 3.46Å; G831-L835 VanDerWaalsContact O-CG 3.31Å; G831-L835 WeakPolarHBondContact O-CG 3.22Å; G831-L835 PolarHBondContact O-N 3.39Å
832N77.3Confident70.7Confident17 Ų1797.5 Ų97.59%0.09153%0.532CS..Hα-helixtrans-70.7-45177.1-166.24000111L825 T826 N829 I830 M834 L835 Q836 W840L825-N832 HydrophobicContact CB-CB 4.47Å; L825-N832 HydrophobicContact CD2-CB 4.35Å; L825-N832 PolarHBondContact O-ND2 3.36Å; T826-N832 VanDerWaalsContact C-ND2 3.32Å; T826-N832 WeakPolarHBondContact O-CB 3.24Å; T826-N832 PolarHBondContact O-ND2 2.91Å; N829-N832 WeakPolarHBondContact O-CB 3.46Å; N829-N832 PolarHBondContact O-N 2.96Å; I830-N832 PolarHBondContact O-N 2.92Å; N832-M834 VanDerWaalsContact C-N 3.28Å; N832-M834 PolarHBondContact O-N 3.24Å; N832-L835 PolarHBondContact O-N 2.9Å; N832-L835 VanDerWaalsContact O-N 3.14Å; N832-Q836 WeakPolarHBondContact O-CB 3.42Å; N832-Q836 PolarHBondContact O-N 3.05Å; N832-W840 WeakPolarHBondContact OD1-CZ3 3.41Å
833K78.1Confident71.7Confident118 Ų11892.3 Ų92.351%0.51353%0.528SS..Hα-helixtrans-58.7-38.4173.8-73.1172.7178.2159.60112.3S827 N829 I830 A837S827-K833 WeakPolarHBondContact O-CE 3.37Å; N829-K833 PolarHBondContact O-N 2.87Å; I830-K833 PolarHBondContact O-N 3.44Å; K833-A837 WeakPolarHBondContact O-CB 3.41Å; K833-A837 PolarHBondContact O-N 2.66Å
834M78.9Confident72.5Confident120 Ų12091 Ų9159%0.59152%0.516SS*.Hα-helixtrans-66.7-43.8173.8-171.5-177.872.200112.5I830 G831 N832 A837 M838I830-M834 WeakPolarHBondContact O-CB 3.43Å; I830-M834 PolarHBondContact O-N 3.12Å; G831-M834 PolarHBondContact O-N 3.43Å; N832-M834 VanDerWaalsContact C-N 3.28Å; N832-M834 PolarHBondContact O-N 3.24Å; M834-A837 PolarHBondContact O-N 3.18Å; M834-M838 WeakPolarHBondContact O-CG 3.18Å; M834-M838 PolarHBondContact O-N 3.39Å
835L79.8Confident73Confident57 Ų5789 Ų8930%0.29850%0.495SS..Hα-helixtrans-64-43.1176.6-76.4166.3000111.8L825 G831 N832 M838 G839 W840L825-L835 HydrophobicContact CD2-CD1 3.63Å; G831-L835 WeakPolarHBondContact O-CB 3.46Å; G831-L835 VanDerWaalsContact O-CG 3.31Å; G831-L835 WeakPolarHBondContact O-CG 3.22Å; G831-L835 PolarHBondContact O-N 3.39Å; N832-L835 PolarHBondContact O-N 2.9Å; N832-L835 VanDerWaalsContact O-N 3.14Å; L835-M838 CarbonylContact O-C 3.46Å; L835-M838 WeakPolarHBondContact O-CA 2.98Å; L835-M838 PolarHBondContact O-N 2.76Å; L835-G839 PolarHBondContact O-N 2.97Å; L835-W840 HydrophobicContact CB-CB 3.89Å; L835-W840 HydrophobicContact CB-CD2 4.41Å; L835-W840 HydrophobicContact CB-CE3 4.22Å; L835-W840 HydrophobicContact CB-CG 4.3Å; L835-W840 WeakPolarHBondContact O-CB 3.19Å; L835-W840 PolarHBondContact O-N 2.75Å
836Q78.8Confident73.4Confident132 Ų13290.1 Ų90.162%0.61750%0.501SS*.Hα-helixtrans-64.2-39.6177.1-166.6179.345.500111.8N832 M838 G839N832-Q836 WeakPolarHBondContact O-CB 3.42Å; N832-Q836 PolarHBondContact O-N 3.05Å; Q836-M838 PolarHBondContact O-N 2.92Å; Q836-G839 PolarHBondContact O-N 2.61Å
837A79.2Confident73.6Confident85 Ų8588.3 Ų88.370%0.70250%0.5SS*.Hα-helixtrans-63.7-29.4171.400000112.9K833 M834 G839K833-A837 WeakPolarHBondContact O-CB 3.41Å; K833-A837 PolarHBondContact O-N 2.66Å; M834-A837 PolarHBondContact O-N 3.18Å; A837-G839 PolarHBondContact O-N 2.9Å
838M69.1Low73.9Confident145 Ų14596.6 Ų96.671%0.71452%0.52SS*.THydrogen-bonded Turntrans-84.414.2171.4-65.6-66.7163.300113.5M834 L835 Q836M834-M838 WeakPolarHBondContact O-CG 3.18Å; M834-M838 PolarHBondContact O-N 3.39Å; L835-M838 CarbonylContact O-C 3.46Å; L835-M838 WeakPolarHBondContact O-CA 2.98Å; L835-M838 PolarHBondContact O-N 2.76Å; Q836-M838 PolarHBondContact O-N 2.92Å
839G72.8Confident73.9Confident57 Ų5795.9 Ų95.959%0.58852%0.516SS*.THydrogen-bonded Turntrans82.67.9174.300000115.4L835 Q836 A837L835-G839 PolarHBondContact O-N 2.97Å; Q836-G839 PolarHBondContact O-N 2.61Å; A837-G839 PolarHBondContact O-N 2.9Å
840W76.5Confident73.7Confident55 Ų5597.1 Ų97.121%0.20852%0.519CS..  trans-65147.1171.1-169.266.4000111.2L825 N832 L835 E842 K844 L846L825-W840 HydrophobicContact CB-CH2 4.43Å; L825-W840 HydrophobicContact CB-CZ3 4.48Å; L825-W840 HydrophobicContact CD2-CZ3 4.4Å; N832-W840 WeakPolarHBondContact OD1-CZ3 3.41Å; L835-W840 HydrophobicContact CB-CB 3.89Å; L835-W840 HydrophobicContact CB-CD2 4.41Å; L835-W840 HydrophobicContact CB-CE3 4.22Å; L835-W840 HydrophobicContact CB-CG 4.3Å; L835-W840 WeakPolarHBondContact O-CB 3.19Å; L835-W840 PolarHBondContact O-N 2.75Å; W840-E842 HydrophobicContact CH2-CB 4.24Å; W840-K844 PolarHBondContact NE1-O 3.38Å; W840-L846 HydrophobicContact CB-CD1 3.77Å; W840-L846 HydrophobicContact CG-CD1 4.33Å
841K74.6Confident73.5Confident146 Ų14697.9 Ų97.964%0.63552%0.519SS*.  trans-139.9143.1170-64.1-171178.7-171.60108.3G843 K844K841-G843 PolarHBondContact O-N 2.61Å; K841-K844 HydrophobicContact CB-CB 4.43Å; K841-K844 PolarHBondContact O-N 3.46Å
842E72.7Confident73Confident155 Ų15597.8 Ų97.872%0.72452%0.518SS*.THydrogen-bonded Turntrans-54.3138.2176.7-169.4169.6-158.800111.1W840 K844W840-E842 HydrophobicContact CH2-CB 4.24Å; E842-K844 PolarHBondContact O-N 3.5Å
843G70.9Confident72.5Confident65 Ų65103.2 Ų103.267%0.6755%0.546SS*.THydrogen-bonded Turntrans713.1-173.800000116K841K841-G843 PolarHBondContact O-N 2.61Å
844K70.8Confident71.9Confident103 Ų103102.5 Ų102.545%0.44855%0.551SS.*SBendtrans-125.7143.9-179.4-70.4-167.4162.6-163.60114W840 K841 E842W840-K844 PolarHBondContact NE1-O 3.38Å; K841-K844 HydrophobicContact CB-CB 4.43Å; K841-K844 PolarHBondContact O-N 3.46Å; E842-K844 PolarHBondContact O-N 3.5Å
845G70.6Confident71Confident6 Ų699.7 Ų99.76%0.06255%0.548CS..  trans-70.8139.3-179.400000113.2Q850 G852G845-Q850 CarbonylContact O-C 3.6Å; G845-Q850 WeakPolarHBondContact O-CA 3.24Å; G845-G852 VanDerWaalsContact CA-O 3.22Å; G845-G852 WeakPolarHBondContact CA-O 3.44Å
846L69.3Low70Confident93 Ų93102.9 Ų102.949%0.48757%0.572SS.*SBendtrans-67.4138.1173.7-160.875.8000110.9W840 G852W840-L846 HydrophobicContact CB-CD1 3.77Å; W840-L846 HydrophobicContact CG-CD1 4.33Å; L846-G852 VanDerWaalsContact O-CA 3.32Å; L846-G852 WeakPolarHBondContact O-CA 3.29Å; L846-G852 PolarHBondContact O-N 2.85Å
847G67.8Low69Low50 Ų50103.2 Ų103.252%0.51558%0.576SS.*SBendtrans133.8160.9175.400000113.5N849 Q850G847-N849 PolarHBondContact O-N 2.88Å; G847-Q850 PolarHBondContact O-N 3.4Å
848R71.4Confident67.9Low249 Ų249106.2 Ų106.294%0.9458%0.576SS**THydrogen-bonded Turntrans-53.2-30.7-171.7-170.1172.6-176.9164.70.6114.5
849N70.3Confident67.1Low104 Ų104103.5 Ų103.556%0.55658%0.577SS**THydrogen-bonded Turntrans-109.112.5-178.1-61.4-5.6000113.2G847 Q851G847-N849 PolarHBondContact O-N 2.88Å; N849-Q851 HydrophobicContact CB-CB 4.5Å; N849-Q851 HydrophobicContact CB-CG 3.77Å; N849-Q851 PolarHBondContact O-N 2.98Å
850Q68.7Low66.4Low113 Ų113105.9 Ų105.953%0.52857%0.572SS.*SBendtrans60.619.3-173.9-61.5157.948.600114.6G845 G847 G852G845-Q850 CarbonylContact O-C 3.6Å; G845-Q850 WeakPolarHBondContact O-CA 3.24Å; G847-Q850 PolarHBondContact O-N 3.4Å; Q850-G852 PolarHBondContact O-N 2.87Å
851Q69.1Low65.5Low159 Ų159107.4 Ų107.474%0.74358%0.584SS**  trans-842.8-172.9-73.8171.6-19.300115.3N849N849-Q851 HydrophobicContact CB-CB 4.5Å; N849-Q851 HydrophobicContact CB-CG 3.77Å; N849-Q851 PolarHBondContact O-N 2.98Å
852G65.8Low64.7Low24 Ų24107.8 Ų107.825%0.24758%0.582CS.*SBendtrans-63.3159178.100000113.1G845 L846 Q850 T854G845-G852 VanDerWaalsContact CA-O 3.22Å; G845-G852 WeakPolarHBondContact CA-O 3.44Å; L846-G852 VanDerWaalsContact O-CA 3.32Å; L846-G852 WeakPolarHBondContact O-CA 3.29Å; L846-G852 PolarHBondContact O-N 2.85Å; Q850-G852 PolarHBondContact O-N 2.87Å; G852-T854 PolarHBondContact O-N 2.81Å
853I66.9Low64.3Low131 Ų131101.6 Ų101.667%0.67255%0.554SS**  trans-66.4124.8179.2-49.1177.1000109.1A855 I857I853-A855 VanDerWaalsContact CG2-O 3.31Å; I853-A855 WeakPolarHBondContact CG2-O 2.99Å; I853-I857 HydrophobicContact CD1-CD1 3.99Å; I853-I857 HydrophobicContact CD1-CG1 4.18Å
854T66.5Low63.8Low103 Ų103108 Ų10863%0.63256%0.564SS**  trans-92.1-23.5-177.846.40000114G852G852-T854 PolarHBondContact O-N 2.81Å
855A59.4Low63.5Low62 Ų62106.5 Ų106.551%0.51258%0.577SS.*SBendtrans-98.1152.2176.100000111.5I853I853-A855 VanDerWaalsContact CG2-O 3.31Å; I853-A855 WeakPolarHBondContact CG2-O 2.99Å
856P58.8Low63.3Low124 Ų124108.1 Ų108.181%0.80559%0.59SS**  trans-56.5139.6168.9-23.334.4000111.6E858P856-E858 PolarHBondContact O-N 2.61Å
857I57.9Low62.9Low138 Ų138105.5 Ų105.571%0.70859%0.586SS**  trans-74.6109.2179.5-57.4175.1000109I853 A859I853-I857 HydrophobicContact CD1-CD1 3.99Å; I853-I857 HydrophobicContact CD1-CG1 4.18Å; I857-A859 PolarHBondContact O-N 3.3Å
858E55.4Low62.5Low148 Ų148111.5 Ų111.569%0.69261%0.605SS**  trans-67.4122.2176.7-66.8-168164.200111.9P856 Q860P856-E858 PolarHBondContact O-N 2.61Å; E858-Q860 PolarHBondContact O-N 3.03Å
859A52.3Low61.9Low89 Ų89103 Ų10374%0.73659%0.594SS**  trans-80.480.8-179.300000111.8I857 L861I857-A859 PolarHBondContact O-N 3.3Å; A859-L861 PolarHBondContact O-N 3.15Å; A859-L861 VanDerWaalsContact O-N 3.12Å
860Q58.7Low61.3Low106 Ų106102.2 Ų102.250%0.49559%0.593SS.*  trans-63.5111.4174.8-65.5-169.91.600111.3E858 N874E858-Q860 PolarHBondContact O-N 3.03Å; Q860-N874 PolarHBondContact OE1-ND2 3.01Å
861L57.5Low60.9Low87 Ų87107.5 Ų107.546%0.45562%0.615SS.*EExtended strand (participates in β ladder)trans-88.7113.7-179.7-164.673.7000110.3A859 L877A859-L861 PolarHBondContact O-N 3.15Å; A859-L861 VanDerWaalsContact O-N 3.12Å; L861-L877 HydrophobicContact CD2-CD1 4.21Å
862R58.8Low60.2Low155 Ų155101.1 Ų101.159%0.58559%0.592SS**EExtended strand (participates in β ladder)trans-67.2142.1172.3-78.6-174.6172.1101.40.8111.4K864 N874R862-K864 PolarHBondContact O-N 3.29Å; R862-N874 WeakPolarHBondContact CG-OD1 3.35Å
863T64Low59.7Low24 Ų24101.7 Ų101.715%0.14759%0.591CS.*  trans-55.3121.1172.5-64.20000110.5G865 A866 T873T863-G865 PolarHBondContact O-N 3.49Å; T863-A866 WeakPolarHBondContact O-CB 3.2Å; T863-A866 PolarHBondContact O-N 3.22Å; T863-T873 PolarHBondContact OG1-O 2.9Å
864K60Low59.2Low201 Ų20199 Ų9987%0.87458%0.578SS**THydrogen-bonded Turntrans-58.6109.3-175.2-67.5-178.4-178.8178.20110.8R862R862-K864 PolarHBondContact O-N 3.29Å
865G65.4Low59Low70 Ų7096.3 Ų96.372%0.72256%0.556SS**THydrogen-bonded Turntrans119.6-17.7-179.200000114.6T863T863-G865 PolarHBondContact O-N 3.49Å
866A66.6Low59Low40 Ų4097.1 Ų97.133%0.33156%0.555SS.*  trans-66.6135.3172.600000111.1T863T863-A866 WeakPolarHBondContact O-CB 3.2Å; T863-A866 PolarHBondContact O-N 3.22Å
867G59.3Low59Low39 Ų3993.9 Ų93.940%0.40253%0.531SS..  trans-83.5161.3-177.700000113.2G869 T870G867-G869 PolarHBondContact O-N 3.18Å; G867-T870 PolarHBondContact N-OG1 3.37Å; G867-T870 PolarHBondContact O-N 2.92Å; G867-T870 PolarHBondContact O-OG1 2.86Å
868L58.9Low59.4Low175 Ų17590.3 Ų90.392%0.91652%0.518SS*.THydrogen-bonded Turntrans-71.992.6168.3-85.179.3000109.2
869G59.3Low59.5Low70 Ų7088.9 Ų88.972%0.72253%0.532SS*.THydrogen-bonded Turntrans148.1-30178.800000113.1G867 K871G867-G869 PolarHBondContact O-N 3.18Å; G869-K871 PolarHBondContact O-N 3.5Å
870T58.3Low60.4Low88 Ų8889.2 Ų89.254%0.5453%0.529SS..  trans-68.7123.2173.549.70000110.2G867 G872G867-T870 PolarHBondContact N-OG1 3.37Å; G867-T870 PolarHBondContact O-N 2.92Å; G867-T870 PolarHBondContact O-OG1 2.86Å; T870-G872 PolarHBondContact O-N 2.95Å
871K60.2Low61.3Low224 Ų22486.2 Ų86.297%0.97452%0.516SS*.  trans-77.456.8174.4-61.1-179.8-177.1176.90110.7G869G869-K871 PolarHBondContact O-N 3.5Å
872G54.3Low62.3Low26 Ų2686.2 Ų86.227%0.26852%0.519SS..  trans-121.1125.3-173.100000112.9T870T870-G872 PolarHBondContact O-N 2.95Å
873T54.7Low63Low36 Ų3687.7 Ų87.722%0.22153%0.526CS..  trans11.599.5173.452.70000119.7T863 A893 E897T863-T873 PolarHBondContact OG1-O 2.9Å; T873-A893 HydrophobicContact CG2-CB 4.35Å; T873-E897 WeakPolarHBondContact CB-OE1 3.22Å; T873-E897 HydrophobicContact CG2-CG 3.62Å; T873-E897 WeakPolarHBondContact CG2-OE1 3.41Å; T873-E897 VanDerWaalsContact OG1-CD 3.28Å; T873-E897 PolarHBondContact OG1-OE1 2.9Å; T873-E897 PolarHBondContact OG1-OE2 3.31Å
874N57.6Low63.8Low74 Ų7494.3 Ų94.340%0.39655%0.553SS.*EExtended strand (participates in β ladder)trans-79.4130142.6-62.6-16.3000107.7Q860 R862Q860-N874 PolarHBondContact OE1-ND2 3.01Å; R862-N874 WeakPolarHBondContact CG-OD1 3.35Å
875Y61.7Low64.7Low46 Ų4686.7 Ų86.718%0.1852%0.522CS..EExtended strand (participates in β ladder)trans-116133.8169.168.9-75.4000109.8L877 K889 A890Y875-L877 HydrophobicContact CD2-CD2 4.1Å; Y875-L877 HydrophobicContact CD2-CG 4.05Å; Y875-L877 HydrophobicContact CE2-CD1 3.83Å; Y875-L877 HydrophobicContact CE2-CD2 3.73Å; Y875-L877 HydrophobicContact CE2-CG 3.65Å; Y875-L877 PolarHBondContact O-N 3.43Å; Y875-K889 HydrophobicContact CD2-CB 4.31Å; Y875-A890 HydrophobicContact CD2-CB 4.4Å; Y875-A890 HydrophobicContact CE2-CB 3.89Å
876T60Low65.2Low80 Ų8084.2 Ų84.249%0.49150%0.495SS..  trans-81.8109.5-174.943.40000111.3K889T876-K889 PolarHBondContact O-NZ 3.19Å; T876-K889 VanDerWaalsContact O-NZ 3.16Å
877L59.3Low65.8Low56 Ų5684.7 Ų84.729%0.29349%0.493SS..  trans-91.9113.2166.9-70.3179.3000109.4L861 Y875 D881 A886L861-L877 HydrophobicContact CD2-CD1 4.21Å; Y875-L877 HydrophobicContact CD2-CD2 4.1Å; Y875-L877 HydrophobicContact CD2-CG 4.05Å; Y875-L877 HydrophobicContact CE2-CD1 3.83Å; Y875-L877 HydrophobicContact CE2-CD2 3.73Å; Y875-L877 HydrophobicContact CE2-CG 3.65Å; Y875-L877 PolarHBondContact O-N 3.43Å; L877-D881 WeakPolarHBondContact CA-OD2 3.34Å; L877-D881 HydrophobicContact CD2-CB 4.45Å; L877-A886 HydrophobicContact CD2-CB 3.48Å; L877-A886 VanDerWaalsContact CD2-CB 3.48Å
878S64.6Low67Low62 Ų6290.9 Ų90.943%0.43451%0.505SS..  trans-71.8149.7166.3176.70000109.6S880 D881S878-S880 WeakPolarHBondContact CB-OG 3.42Å; S878-S880 PolarHBondContact O-N 3.44Å; S878-S880 PolarHBondContact OG-N 2.93Å; S878-S880 VanDerWaalsContact OG-N 3.11Å; S878-S880 PolarHBondContact OG-OG 3.4Å; S878-D881 PolarHBondContact N-OD2 3.2Å; S878-D881 PolarHBondContact O-N 2.63Å
879A58.3Low68.1Low119 Ų11986.3 Ų86.398%0.98348%0.477SS*.THydrogen-bonded Turntrans-60.8-10.4167.800000113.3
880S71.5Confident69Low96 Ų9684 Ų8467%0.67145%0.452SS*.THydrogen-bonded Turntrans-94.2-6.6173.667.60000115.1S878 T882S878-S880 WeakPolarHBondContact CB-OG 3.42Å; S878-S880 PolarHBondContact O-N 3.44Å; S878-S880 PolarHBondContact OG-N 2.93Å; S878-S880 VanDerWaalsContact OG-N 3.11Å; S878-S880 PolarHBondContact OG-OG 3.4Å; S880-T882 PolarHBondContact O-N 2.88Å
881D76.9Confident69.8Low42 Ų4286.2 Ų86.223%0.22546%0.457CS..  trans-75.1124.3-175.8-74.1-39.7000111.8L877 S878 K889L877-D881 WeakPolarHBondContact CA-OD2 3.34Å; L877-D881 HydrophobicContact CD2-CB 4.45Å; S878-D881 PolarHBondContact N-OD2 3.2Å; S878-D881 PolarHBondContact O-N 2.63Å; D881-K889 IonicContact OD1-NZ 2.64Å; D881-K889 PolarHBondContact OD1-NZ 3.1Å; D881-K889 IonicContact OD2-NZ 2.72Å; D881-K889 PolarHBondContact OD2-NZ 3.13Å
882T78.8Confident70.7Confident87 Ų8782.3 Ų82.353%0.53444%0.441SS..  trans-66.3154.8171.7-280000110.2S880 K884 D885 A886S880-T882 PolarHBondContact O-N 2.88Å; T882-K884 PolarHBondContact O-N 3.17Å; T882-K884 VanDerWaalsContact O-N 3.08Å; T882-D885 WeakPolarHBondContact CB-OD2 3.44Å; T882-D885 PolarHBondContact N-OD2 2.89Å; T882-D885 WeakPolarHBondContact O-CA 3.41Å; T882-D885 WeakPolarHBondContact O-CB 3.08Å; T882-D885 PolarHBondContact O-N 2.93Å; T882-D885 PolarHBondContact OG1-OD2 2.82Å; T882-A886 PolarHBondContact O-N 3.25Å
883Y73.2Confident71.6Confident187 Ų18781.8 Ų81.873%0.73343%0.434SS*.Hα-helixtrans-50.6-37.2174.1179.2-98.3000113.7D885 V887Y883-D885 VanDerWaalsContact C-N 3.28Å; Y883-D885 PolarHBondContact O-N 2.94Å; Y883-V887 HydrophobicContact CD1-CG2 4.39Å; Y883-V887 HydrophobicContact CE1-CG2 3.96Å; Y883-V887 HydrophobicContact CE2-CG2 4.22Å; Y883-V887 VanDerWaalsContact O-CG2 3.3Å; Y883-V887 WeakPolarHBondContact O-CG2 3.42Å; Y883-V887 PolarHBondContact O-N 3.44Å
884K80.1Confident72.2Confident163 Ų16386.9 Ų86.971%0.70945%0.449SS*.Hα-helixtrans-66.1-28.4175.4-68.1-175.2177.3-178.60113.4T882 R888T882-K884 PolarHBondContact O-N 3.17Å; T882-K884 VanDerWaalsContact O-N 3.08Å; K884-R888 WeakPolarHBondContact O-CG 3.38Å; K884-R888 PolarHBondContact O-N 3.04Å; K884-R888 VanDerWaalsContact O-N 3.16Å
885D78.9Confident73.2Confident40 Ų4088.8 Ų88.821%0.21445%0.454CS..Hα-helixtrans-87.3-39.7-177.5-50.3-40.9000109.9T882 Y883 V887 R888 K889T882-D885 WeakPolarHBondContact CB-OD2 3.44Å; T882-D885 PolarHBondContact N-OD2 2.89Å; T882-D885 WeakPolarHBondContact O-CA 3.41Å; T882-D885 WeakPolarHBondContact O-CB 3.08Å; T882-D885 PolarHBondContact O-N 2.93Å; T882-D885 PolarHBondContact OG1-OD2 2.82Å; Y883-D885 VanDerWaalsContact C-N 3.28Å; Y883-D885 PolarHBondContact O-N 2.94Å; D885-V887 VanDerWaalsContact C-N 3.33Å; D885-V887 PolarHBondContact O-N 2.99Å; D885-R888 PolarHBondContact O-N 3.3Å; D885-R888 IonicContact OD1-CZ 2.71Å; D885-R888 IonicContact OD1-NE 2.69Å; D885-R888 IonicContact OD1-NH2 2.77Å; D885-R888 PolarHBondContact OD1-NH2 3.44Å; D885-K889 WeakPolarHBondContact O-CB 3.49Å; D885-K889 WeakPolarHBondContact O-CG 3.15Å; D885-K889 PolarHBondContact O-N 2.94Å
886A77.3Confident73.8Confident18 Ų1889.9 Ų89.915%0.14947%0.466CS..Hα-helixtrans-55.9-44.616800000112.4L877 T882 A890L877-A886 HydrophobicContact CD2-CB 3.48Å; L877-A886 VanDerWaalsContact CD2-CB 3.48Å; T882-A886 PolarHBondContact O-N 3.25Å; A886-A890 VanDerWaalsContact O-CB 3.32Å; A886-A890 WeakPolarHBondContact O-CB 3.24Å; A886-A890 PolarHBondContact O-N 3.06Å
887V79.4Confident73.9Confident51 Ų5190.5 Ų90.531%0.30946%0.463SS..Hα-helixtrans-67.3-42175.6170.40000111.6Y883 D885 A890 M891Y883-V887 HydrophobicContact CD1-CG2 4.39Å; Y883-V887 HydrophobicContact CE1-CG2 3.96Å; Y883-V887 HydrophobicContact CE2-CG2 4.22Å; Y883-V887 VanDerWaalsContact O-CG2 3.3Å; Y883-V887 WeakPolarHBondContact O-CG2 3.42Å; Y883-V887 PolarHBondContact O-N 3.44Å; D885-V887 VanDerWaalsContact C-N 3.33Å; D885-V887 PolarHBondContact O-N 2.99Å; V887-A890 PolarHBondContact O-N 2.95Å; V887-M891 HydrophobicContact CG1-CE 4.39Å; V887-M891 HydrophobicContact CG1-SD 4.2Å; V887-M891 WeakPolarHBondContact O-CG 3.5Å; V887-M891 PolarHBondContact O-N 2.85Å
888R83.4Confident74Confident169 Ų16995.1 Ų95.164%0.63849%0.487SS*.Hα-helixtrans-62.9-46.2175.8-79.9-171.5-69.7174.1-2112.4K884 D885 A890 M891 F892K884-R888 WeakPolarHBondContact O-CG 3.38Å; K884-R888 PolarHBondContact O-N 3.04Å; K884-R888 VanDerWaalsContact O-N 3.16Å; D885-R888 PolarHBondContact O-N 3.3Å; D885-R888 IonicContact OD1-CZ 2.71Å; D885-R888 IonicContact OD1-NE 2.69Å; D885-R888 IonicContact OD1-NH2 2.77Å; D885-R888 PolarHBondContact OD1-NH2 3.44Å; R888-A890 VanDerWaalsContact C-N 3.35Å; R888-A890 PolarHBondContact O-N 3.36Å; R888-M891 PolarHBondContact O-N 2.96Å; R888-F892 WeakPolarHBondContact O-CB 3.36Å; R888-F892 PolarHBondContact O-N 2.87Å
889K82.1Confident73.1Confident78 Ų78101.8 Ų101.834%0.33951%0.512SS..Hα-helixtrans-57.3-46174.1-75.7178.5172.5-177.10111.6Y875 T876 D881 D885 F892 A893Y875-K889 HydrophobicContact CD2-CB 4.31Å; T876-K889 PolarHBondContact O-NZ 3.19Å; T876-K889 VanDerWaalsContact O-NZ 3.16Å; D881-K889 IonicContact OD1-NZ 2.64Å; D881-K889 PolarHBondContact OD1-NZ 3.1Å; D881-K889 IonicContact OD2-NZ 2.72Å; D881-K889 PolarHBondContact OD2-NZ 3.13Å; D885-K889 WeakPolarHBondContact O-CB 3.49Å; D885-K889 WeakPolarHBondContact O-CG 3.15Å; D885-K889 PolarHBondContact O-N 2.94Å; K889-F892 PolarHBondContact O-N 2.59Å; K889-A893 WeakPolarHBondContact O-CB 3.45Å; K889-A893 PolarHBondContact O-N 3.22Å
890A78.1Confident73.9Confident22 Ų22101 Ų10118%0.18249%0.488CS..Hα-helixtrans-67.6-33.6179.400000113.6Y875 A886 V887 R888 R894Y875-A890 HydrophobicContact CD2-CB 4.4Å; Y875-A890 HydrophobicContact CE2-CB 3.89Å; A886-A890 VanDerWaalsContact O-CB 3.32Å; A886-A890 WeakPolarHBondContact O-CB 3.24Å; A886-A890 PolarHBondContact O-N 3.06Å; V887-A890 PolarHBondContact O-N 2.95Å; R888-A890 VanDerWaalsContact C-N 3.35Å; R888-A890 PolarHBondContact O-N 3.36Å; A890-R894 WeakPolarHBondContact O-CD 3.39Å; A890-R894 WeakPolarHBondContact O-CG 3.49Å; A890-R894 PolarHBondContact O-N 3.25Å
891M76.3Confident74Confident134 Ų134101.2 Ų101.266%0.6648%0.478SS*.Hα-helixtrans-72.9-41.5173-76.7-177163.800112.1V887 R888 R894 F895V887-M891 HydrophobicContact CG1-CE 4.39Å; V887-M891 HydrophobicContact CG1-SD 4.2Å; V887-M891 WeakPolarHBondContact O-CG 3.5Å; V887-M891 PolarHBondContact O-N 2.85Å; R888-M891 PolarHBondContact O-N 2.96Å; M891-R894 PolarHBondContact O-N 3.19Å; M891-F895 PolarHBondContact O-N 2.98Å
892F78.4Confident73.8Confident142 Ų142104.5 Ų104.562%0.62349%0.493SS*.Hα-helixtrans-65.6-44178.9-163.9-89.1000111.6R888 K889 R894 F895 T896R888-F892 WeakPolarHBondContact O-CB 3.36Å; R888-F892 PolarHBondContact O-N 2.87Å; K889-F892 PolarHBondContact O-N 2.59Å; F892-R894 VanDerWaalsContact C-N 3.3Å; F892-R894 PolarHBondContact O-N 2.9Å; F892-F895 WeakPolarHBondContact O-CB 3.28Å; F892-F895 PolarHBondContact O-N 2.9Å; F892-T896 HydrophobicContact CD1-CG2 4.1Å; F892-T896 HydrophobicContact CE1-CG2 3.72Å; F892-T896 HydrophobicContact CZ-CG2 4.34Å; F892-T896 PolarHBondContact O-N 2.9Å; F892-T896 PolarHBondContact O-OG1 3.23Å
893A73.6Confident73.6Confident16 Ų16105.5 Ų105.513%0.13249%0.49CS..Hα-helixtrans-55.3-45.2174.900000112.1T873 K889 F895 T896 E897T873-A893 HydrophobicContact CG2-CB 4.35Å; K889-A893 WeakPolarHBondContact O-CB 3.45Å; K889-A893 PolarHBondContact O-N 3.22Å; A893-F895 VanDerWaalsContact C-N 3.32Å; A893-F895 PolarHBondContact O-N 2.94Å; A893-T896 WeakPolarHBondContact CA-OG1 3.42Å; A893-T896 CarbonylContact O-C 3.57Å; A893-T896 PolarHBondContact O-N 3.31Å; A893-T896 PolarHBondContact O-OG1 2.73Å; A893-E897 WeakPolarHBondContact O-CG 3.3Å; A893-E897 PolarHBondContact O-N 2.85Å
894R67.3Low73.6Confident142 Ų142100.4 Ų100.454%0.53648%0.475SS..Hα-helixtrans-68-26.2176.5-74.6171.7171.1-108.8-6.7114.2A890 M891 F892A890-R894 WeakPolarHBondContact O-CD 3.39Å; A890-R894 WeakPolarHBondContact O-CG 3.49Å; A890-R894 PolarHBondContact O-N 3.25Å; M891-R894 PolarHBondContact O-N 3.19Å; F892-R894 VanDerWaalsContact C-N 3.3Å; F892-R894 PolarHBondContact O-N 2.9Å
895F78.4Confident73.1Confident114 Ų11496.3 Ų96.350%0.546%0.459SS..Hα-helixtrans-72.6-45.8173.5-177.8-91.4000110M891 F892 A893 E897 L898 E899M891-F895 PolarHBondContact O-N 2.98Å; F892-F895 WeakPolarHBondContact O-CB 3.28Å; F892-F895 PolarHBondContact O-N 2.9Å; A893-F895 VanDerWaalsContact C-N 3.32Å; A893-F895 PolarHBondContact O-N 2.94Å; F895-E897 PolarHBondContact O-N 3.44Å; F895-L898 PolarHBondContact O-N 3.29Å; F895-E899 HydrophobicContact CE1-CG 4.5Å
896T73.6Confident72.7Confident70 Ų70100.3 Ų100.343%0.42948%0.477SS..THydrogen-bonded Turntrans-71.77.8173.255.40000114.7F892 A893F892-T896 HydrophobicContact CD1-CG2 4.1Å; F892-T896 HydrophobicContact CE1-CG2 3.72Å; F892-T896 HydrophobicContact CZ-CG2 4.34Å; F892-T896 PolarHBondContact O-N 2.9Å; F892-T896 PolarHBondContact O-OG1 3.23Å; A893-T896 WeakPolarHBondContact CA-OG1 3.42Å; A893-T896 CarbonylContact O-C 3.57Å; A893-T896 PolarHBondContact O-N 3.31Å; A893-T896 PolarHBondContact O-OG1 2.73Å
897E61.8Low72.4Confident93 Ų93106.6 Ų106.644%0.43550%0.502SS..THydrogen-bonded Turntrans-102.3-2.6167.8-76.5178.4-99.600112.1T873 A893 F895T873-E897 WeakPolarHBondContact CB-OE1 3.22Å; T873-E897 HydrophobicContact CG2-CG 3.62Å; T873-E897 WeakPolarHBondContact CG2-OE1 3.41Å; T873-E897 VanDerWaalsContact OG1-CD 3.28Å; T873-E897 PolarHBondContact OG1-OE1 2.9Å; T873-E897 PolarHBondContact OG1-OE2 3.31Å; A893-E897 WeakPolarHBondContact O-CG 3.3Å; A893-E897 PolarHBondContact O-N 2.85Å; F895-E897 PolarHBondContact O-N 3.44Å
898L62.8Low71.8Confident153 Ų153111.3 Ų111.380%0.80152%0.518SS*.  trans-114.6-4.3-176.7-68.3169.2000113.7F895F895-L898 PolarHBondContact O-N 3.29Å
899E45.7Very low70.8Confident202 Ų202106 Ų10694%0.94451%0.507SS*.  trans-103.50167.5-65-175.1139.400110.1F895F895-E899 HydrophobicContact CE1-CG 4.5Å

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